N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-(6-methyl-2-pyridinyl)piperidin-4-amine

C19H32N4 — CID 100900964

IUPACN-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-(6-methyl-2-pyridinyl)piperidin-4-amine
SMILESCc1cccc(N2CCC(N[C@@H]3CN(C(C)C)C[C@H]3C)CC2)n1
InChIInChI=1S/C19H32N4/c1-14(2)23-12-15(3)18(13-23)21-17-8-10-22(11-9-17)19-7-5-6-16(4)20-19/h5-7,14-15,17-18,21H,8-13H2,1-4H3/t15-,18-/m1/s1
InChIKeyIIWXNRHDSOHGAU-CRAIPNDOSA-N
MW316.49 g/mol
LogP2.68
Rot. Bonds4

About N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-(6-methyl-2-pyridinyl)piperidin-4-amine

N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-(6-methyl-2-pyridinyl)piperidin-4-amine (PubChem CID 100900964) has the molecular formula C19H32N4 and a molecular weight of 316.49 g/mol. Its IUPAC name is N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-(6-methyl-2-pyridinyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-(6-methyl-2-pyridinyl)piperidin-4-amine
PubChem CID100900964
Molecular FormulaC19H32N4
Molecular Weight316.49 g/mol
Exact Mass316.26
IUPAC NameN-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-(6-methyl-2-pyridinyl)piperidin-4-amine
SMILESCc1cccc(N2CCC(N[C@@H]3CN(C(C)C)C[C@H]3C)CC2)n1
InChIInChI=1S/C19H32N4/c1-14(2)23-12-15(3)18(13-23)21-17-8-10-22(11-9-17)19-7-5-6-16(4)20-19/h5-7,14-15,17-18,21H,8-13H2,1-4H3/t15-,18-/m1/s1
InChIKeyIIWXNRHDSOHGAU-CRAIPNDOSA-N
XLogP2.68
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-(6-methyl-2-pyridinyl)piperidin-4-amine with MolForge

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Related Compounds

1-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]ethanol
CID 86797293
1-(3-hydroxy-4-methylpentyl)-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
CID 111506440
2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]butan-1-amine
CID 69036700
3,6-dimethyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]pyrazin-2-amine
CID 133471381
[1-(6-methyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 90351266
(3R)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 103801636
(3R)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 67001485
2-(azetidin-1-yl)-6-methylpyridine
CID 54182749
N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-5,6,7,8-tetrahydroquinoxalin-5-amine
CID 167779946
1-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]-3-[(1R,3S)-3-methylsulfanylcyclopentyl]urea
CID 96518828
methyl 1-(6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 62007370
ethane;N-methylmethanamine;2-methyl-6-pyrrolidin-1-ylpyridine
CID 156652479

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-(6-methyl-2-pyridinyl)piperidin-4-amine?
The IUPAC name of N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-(6-methyl-2-pyridinyl)piperidin-4-amine (CID 100900964) is N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-(6-methyl-2-pyridinyl)piperidin-4-amine.
What is the SMILES notation for N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-(6-methyl-2-pyridinyl)piperidin-4-amine?
The canonical SMILES for N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-(6-methyl-2-pyridinyl)piperidin-4-amine is Cc1cccc(N2CCC(N[C@@H]3CN(C(C)C)C[C@H]3C)CC2)n1.
What is the InChIKey of N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-(6-methyl-2-pyridinyl)piperidin-4-amine?
The InChIKey is IIWXNRHDSOHGAU-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H32N4/c1-14(2)23-12-15(3)18(13-23)21-17-8-10-22(11-9-17)19-7-5-6-16(4)20-19/h5-7,14-15,17-18,21H,8-13H2,1-4H3/t15-,18-/m1/s1.
What are the key properties of N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-(6-methyl-2-pyridinyl)piperidin-4-amine?
N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-(6-methyl-2-pyridinyl)piperidin-4-amine has a molecular weight of 316.49 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1-(6-methyl-2-pyridinyl)piperidin-4-amine is sourced from PubChem (CID 100900964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).