4-[2-(1-tert-butylpyrrolidin-2-yl)-4-chlorophenyl]-1-methyl-3,6-dihydro-2H-pyridine;2-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-7-methyl-2,7-diazaspiro[3.5]nonane;4-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-1-methylpyrazole;1-[1-[2-(1-tert-butylpyrrolidin-2-yl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine;4-[5-(1-tert-butylpyrrolidin-2-yl)pyrazol-1-yl]-1-methylpiperidine

C98H154ClN15 — CID 167594955

IUPAC4-[2-(1-tert-butylpyrrolidin-2-yl)-4-chlorophenyl]-1-methyl-3,6-dihydro-2H-pyridine;2-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-7-methyl-2,7-diazaspiro[3.5]nonane;4-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-1-methylpyrazole;1-[1-[2-(1-tert-butylpyrrolidin-2-yl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine;4-[5-(1-tert-butylpyrrolidin-2-yl)pyrazol-1-yl]-1-methylpiperidine
SMILESCN(C)CC1CCCN1c1ccccc1C1CCCN1C(C)(C)C.CN1CC=C(c2ccc(Cl)cc2C2CCCN2C(C)(C)C)CC1.CN1CCC(n2nccc2C2CCCN2C(C)(C)C)CC1.CN1CCC2(CC1)CN(c1ccccc1[C@H]1CCCN1C(C)(C)C)C2.Cn1cc(-c2ccccc2[C@H]2CCCN2C(C)(C)C)cn1
InChIInChI=1S/C22H35N3.C21H35N3.C20H29ClN2.C18H25N3.C17H30N4/c1-21(2,3)25-13-7-10-20(25)18-8-5-6-9-19(18)24-16-22(17-24)11-14-23(4)15-12-22;1-21(2,3)24-15-9-13-20(24)18-11-6-7-12-19(18)23-14-8-10-17(23)16-22(4)5;1-20(2,3)23-11-5-6-19(23)18-14-16(21)7-8-17(18)15-9-12-22(4)13-10-15;1-18(2,3)21-11-7-10-17(21)16-9-6-5-8-15(16)14-12-19-20(4)13-14;1-17(2,3)20-11-5-6-15(20)16-7-10-18-21(16)14-8-12-19(4)13-9-14/h5-6,8-9,20H,7,10-17H2,1-4H3;6-7,11-12,17,20H,8-10,13-16H2,1-5H3;7-9,14,19H,5-6,10-13H2,1-4H3;5-6,8-9,12-13,17H,7,10-11H2,1-4H3;7,10,14-15H,5-6,8-9,11-13H2,1-4H3/t20-;;;17-;/m1..1./s1
InChIKeyIYARVQPFFXASAM-BHTWKYRYSA-N
MW1577.87 g/mol
LogP20.41
Rot. Bonds12

About 4-[2-(1-tert-butylpyrrolidin-2-yl)-4-chlorophenyl]-1-methyl-3,6-dihydro-2H-pyridine;2-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-7-methyl-2,7-diazaspiro[3.5]nonane;4-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-1-methylpyrazole;1-[1-[2-(1-tert-butylpyrrolidin-2-yl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine;4-[5-(1-tert-butylpyrrolidin-2-yl)pyrazol-1-yl]-1-methylpiperidine

4-[2-(1-tert-butylpyrrolidin-2-yl)-4-chlorophenyl]-1-methyl-3,6-dihydro-2H-pyridine;2-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-7-methyl-2,7-diazaspiro[3.5]nonane;4-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-1-methylpyrazole;1-[1-[2-(1-tert-butylpyrrolidin-2-yl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine;4-[5-(1-tert-butylpyrrolidin-2-yl)pyrazol-1-yl]-1-methylpiperidine (PubChem CID 167594955) has the molecular formula C98H154ClN15 and a molecular weight of 1577.87 g/mol. Its IUPAC name is 4-[2-(1-tert-butylpyrrolidin-2-yl)-4-chlorophenyl]-1-methyl-3,6-dihydro-2H-pyridine;2-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-7-methyl-2,7-diazaspiro[3.5]nonane;4-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-1-methylpyrazole;1-[1-[2-(1-tert-butylpyrrolidin-2-yl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine;4-[5-(1-tert-butylpyrrolidin-2-yl)pyrazol-1-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[2-(1-tert-butylpyrrolidin-2-yl)-4-chlorophenyl]-1-methyl-3,6-dihydro-2H-pyridine;2-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-7-methyl-2,7-diazaspiro[3.5]nonane;4-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-1-methylpyrazole;1-[1-[2-(1-tert-butylpyrrolidin-2-yl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine;4-[5-(1-tert-butylpyrrolidin-2-yl)pyrazol-1-yl]-1-methylpiperidine
PubChem CID167594955
Molecular FormulaC98H154ClN15
Molecular Weight1577.87 g/mol
Exact Mass1576.22
IUPAC Name4-[2-(1-tert-butylpyrrolidin-2-yl)-4-chlorophenyl]-1-methyl-3,6-dihydro-2H-pyridine;2-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-7-methyl-2,7-diazaspiro[3.5]nonane;4-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-1-methylpyrazole;1-[1-[2-(1-tert-butylpyrrolidin-2-yl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine;4-[5-(1-tert-butylpyrrolidin-2-yl)pyrazol-1-yl]-1-methylpiperidine
SMILESCN(C)CC1CCCN1c1ccccc1C1CCCN1C(C)(C)C.CN1CC=C(c2ccc(Cl)cc2C2CCCN2C(C)(C)C)CC1.CN1CCC(n2nccc2C2CCCN2C(C)(C)C)CC1.CN1CCC2(CC1)CN(c1ccccc1[C@H]1CCCN1C(C)(C)C)C2.Cn1cc(-c2ccccc2[C@H]2CCCN2C(C)(C)C)cn1
InChIInChI=1S/C22H35N3.C21H35N3.C20H29ClN2.C18H25N3.C17H30N4/c1-21(2,3)25-13-7-10-20(25)18-8-5-6-9-19(18)24-16-22(17-24)11-14-23(4)15-12-22;1-21(2,3)24-15-9-13-20(24)18-11-6-7-12-19(18)23-14-8-10-17(23)16-22(4)5;1-20(2,3)23-11-5-6-19(23)18-14-16(21)7-8-17(18)15-9-12-22(4)13-10-15;1-18(2,3)21-11-7-10-17(21)16-9-6-5-8-15(16)14-12-19-20(4)13-14;1-17(2,3)20-11-5-6-15(20)16-7-10-18-21(16)14-8-12-19(4)13-9-14/h5-6,8-9,20H,7,10-17H2,1-4H3;6-7,11-12,17,20H,8-10,13-16H2,1-5H3;7-9,14,19H,5-6,10-13H2,1-4H3;5-6,8-9,12-13,17H,7,10-11H2,1-4H3;7,10,14-15H,5-6,8-9,11-13H2,1-4H3/t20-;;;17-;/m1..1./s1
InChIKeyIYARVQPFFXASAM-BHTWKYRYSA-N
XLogP20.41
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001577.87
LogP ≤ 520.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 4-[2-(1-tert-butylpyrrolidin-2-yl)-4-chlorophenyl]-1-methyl-3,6-dihydro-2H-pyridine;2-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-7-methyl-2,7-diazaspiro[3.5]nonane;4-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-1-methylpyrazole;1-[1-[2-(1-tert-butylpyrrolidin-2-yl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine;4-[5-(1-tert-butylpyrrolidin-2-yl)pyrazol-1-yl]-1-methylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-tert-butylpyrrolidin-2-yl)-4-chlorophenyl]-1-methyl-3,6-dihydro-2H-pyridine;2-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-7-methyl-2,7-diazaspiro[3.5]nonane;4-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-1-methylpyrazole;1-[1-[2-(1-tert-butylpyrrolidin-2-yl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine;4-[5-(1-tert-butylpyrrolidin-2-yl)pyrazol-1-yl]-1-methylpiperidine?
The IUPAC name of 4-[2-(1-tert-butylpyrrolidin-2-yl)-4-chlorophenyl]-1-methyl-3,6-dihydro-2H-pyridine;2-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-7-methyl-2,7-diazaspiro[3.5]nonane;4-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-1-methylpyrazole;1-[1-[2-(1-tert-butylpyrrolidin-2-yl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine;4-[5-(1-tert-butylpyrrolidin-2-yl)pyrazol-1-yl]-1-methylpiperidine (CID 167594955) is 4-[2-(1-tert-butylpyrrolidin-2-yl)-4-chlorophenyl]-1-methyl-3,6-dihydro-2H-pyridine;2-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-7-methyl-2,7-diazaspiro[3.5]nonane;4-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-1-methylpyrazole;1-[1-[2-(1-tert-butylpyrrolidin-2-yl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine;4-[5-(1-tert-butylpyrrolidin-2-yl)pyrazol-1-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[2-(1-tert-butylpyrrolidin-2-yl)-4-chlorophenyl]-1-methyl-3,6-dihydro-2H-pyridine;2-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-7-methyl-2,7-diazaspiro[3.5]nonane;4-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-1-methylpyrazole;1-[1-[2-(1-tert-butylpyrrolidin-2-yl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine;4-[5-(1-tert-butylpyrrolidin-2-yl)pyrazol-1-yl]-1-methylpiperidine?
The canonical SMILES for 4-[2-(1-tert-butylpyrrolidin-2-yl)-4-chlorophenyl]-1-methyl-3,6-dihydro-2H-pyridine;2-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-7-methyl-2,7-diazaspiro[3.5]nonane;4-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-1-methylpyrazole;1-[1-[2-(1-tert-butylpyrrolidin-2-yl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine;4-[5-(1-tert-butylpyrrolidin-2-yl)pyrazol-1-yl]-1-methylpiperidine is CN(C)CC1CCCN1c1ccccc1C1CCCN1C(C)(C)C.CN1CC=C(c2ccc(Cl)cc2C2CCCN2C(C)(C)C)CC1.CN1CCC(n2nccc2C2CCCN2C(C)(C)C)CC1.CN1CCC2(CC1)CN(c1ccccc1[C@H]1CCCN1C(C)(C)C)C2.Cn1cc(-c2ccccc2[C@H]2CCCN2C(C)(C)C)cn1.
What is the InChIKey of 4-[2-(1-tert-butylpyrrolidin-2-yl)-4-chlorophenyl]-1-methyl-3,6-dihydro-2H-pyridine;2-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-7-methyl-2,7-diazaspiro[3.5]nonane;4-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-1-methylpyrazole;1-[1-[2-(1-tert-butylpyrrolidin-2-yl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine;4-[5-(1-tert-butylpyrrolidin-2-yl)pyrazol-1-yl]-1-methylpiperidine?
The InChIKey is IYARVQPFFXASAM-BHTWKYRYSA-N. The full InChI is InChI=1S/C22H35N3.C21H35N3.C20H29ClN2.C18H25N3.C17H30N4/c1-21(2,3)25-13-7-10-20(25)18-8-5-6-9-19(18)24-16-22(17-24)11-14-23(4)15-12-22;1-21(2,3)24-15-9-13-20(24)18-11-6-7-12-19(18)23-14-8-10-17(23)16-22(4)5;1-20(2,3)23-11-5-6-19(23)18-14-16(21)7-8-17(18)15-9-12-22(4)13-10-15;1-18(2,3)21-11-7-10-17(21)16-9-6-5-8-15(16)14-12-19-20(4)13-14;1-17(2,3)20-11-5-6-15(20)16-7-10-18-21(16)14-8-12-19(4)13-9-14/h5-6,8-9,20H,7,10-17H2,1-4H3;6-7,11-12,17,20H,8-10,13-16H2,1-5H3;7-9,14,19H,5-6,10-13H2,1-4H3;5-6,8-9,12-13,17H,7,10-11H2,1-4H3;7,10,14-15H,5-6,8-9,11-13H2,1-4H3/t20-;;;17-;/m1..1./s1.
What are the key properties of 4-[2-(1-tert-butylpyrrolidin-2-yl)-4-chlorophenyl]-1-methyl-3,6-dihydro-2H-pyridine;2-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-7-methyl-2,7-diazaspiro[3.5]nonane;4-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-1-methylpyrazole;1-[1-[2-(1-tert-butylpyrrolidin-2-yl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine;4-[5-(1-tert-butylpyrrolidin-2-yl)pyrazol-1-yl]-1-methylpiperidine?
4-[2-(1-tert-butylpyrrolidin-2-yl)-4-chlorophenyl]-1-methyl-3,6-dihydro-2H-pyridine;2-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-7-methyl-2,7-diazaspiro[3.5]nonane;4-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-1-methylpyrazole;1-[1-[2-(1-tert-butylpyrrolidin-2-yl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine;4-[5-(1-tert-butylpyrrolidin-2-yl)pyrazol-1-yl]-1-methylpiperidine has a molecular weight of 1577.87 g/mol, XLogP of 20.41, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-tert-butylpyrrolidin-2-yl)-4-chlorophenyl]-1-methyl-3,6-dihydro-2H-pyridine;2-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-7-methyl-2,7-diazaspiro[3.5]nonane;4-[2-[(2R)-1-tert-butylpyrrolidin-2-yl]phenyl]-1-methylpyrazole;1-[1-[2-(1-tert-butylpyrrolidin-2-yl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine;4-[5-(1-tert-butylpyrrolidin-2-yl)pyrazol-1-yl]-1-methylpiperidine is sourced from PubChem (CID 167594955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).