1-(3,5-dimethylphenyl)-4-(3-pyrrolidin-1-ylpiperidin-1-yl)piperidine

C22H35N3 — CID 45246753

IUPAC1-(3,5-dimethylphenyl)-4-(3-pyrrolidin-1-ylpiperidin-1-yl)piperidine
SMILESCc1cc(C)cc(N2CCC(N3CCCC(N4CCCC4)C3)CC2)c1
InChIInChI=1S/C22H35N3/c1-18-14-19(2)16-22(15-18)24-12-7-20(8-13-24)25-11-5-6-21(17-25)23-9-3-4-10-23/h14-16,20-21H,3-13,17H2,1-2H3
InChIKeyKOIRWBVOUZCCLB-UHFFFAOYSA-N
MW341.54 g/mol
LogP3.83
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-4-(3-pyrrolidin-1-ylpiperidin-1-yl)piperidine

1-(3,5-dimethylphenyl)-4-(3-pyrrolidin-1-ylpiperidin-1-yl)piperidine (PubChem CID 45246753) has the molecular formula C22H35N3 and a molecular weight of 341.54 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-4-(3-pyrrolidin-1-ylpiperidin-1-yl)piperidine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-4-(3-pyrrolidin-1-ylpiperidin-1-yl)piperidine
PubChem CID45246753
Molecular FormulaC22H35N3
Molecular Weight341.54 g/mol
Exact Mass341.28
IUPAC Name1-(3,5-dimethylphenyl)-4-(3-pyrrolidin-1-ylpiperidin-1-yl)piperidine
SMILESCc1cc(C)cc(N2CCC(N3CCCC(N4CCCC4)C3)CC2)c1
InChIInChI=1S/C22H35N3/c1-18-14-19(2)16-22(15-18)24-12-7-20(8-13-24)25-11-5-6-21(17-25)23-9-3-4-10-23/h14-16,20-21H,3-13,17H2,1-2H3
InChIKeyKOIRWBVOUZCCLB-UHFFFAOYSA-N
XLogP3.83
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 112647756
(3S,8aS)-2-[1-(3,5-dimethylphenyl)piperidin-4-yl]-3-methyl-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137339495
2-(3-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930620
2-[3-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)piperidin-1-yl]phenyl]-5-methyl-1,3,4-thiadiazole
CID 56855156
1-cyclopentyl-4-[3-methyl-5-(trifluoromethyl)phenyl]piperazine
CID 58366312
2-(1-cyclopropylpyrrolidin-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929879
3-methyl-2-(4-pyrrolidin-1-ylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79922744
1-(1-cyclobutylpiperidin-3-yl)-4-(4-fluorophenyl)piperazine
CID 45211866
2-cyclobutyl-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926329
1-[4-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 28957439
3-methyl-2-(5-methyl-3-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 107586886
2-(4-bromo-3,5-dimethylphenyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 107579861

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-4-(3-pyrrolidin-1-ylpiperidin-1-yl)piperidine?
The IUPAC name of 1-(3,5-dimethylphenyl)-4-(3-pyrrolidin-1-ylpiperidin-1-yl)piperidine (CID 45246753) is 1-(3,5-dimethylphenyl)-4-(3-pyrrolidin-1-ylpiperidin-1-yl)piperidine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-4-(3-pyrrolidin-1-ylpiperidin-1-yl)piperidine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-4-(3-pyrrolidin-1-ylpiperidin-1-yl)piperidine is Cc1cc(C)cc(N2CCC(N3CCCC(N4CCCC4)C3)CC2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-4-(3-pyrrolidin-1-ylpiperidin-1-yl)piperidine?
The InChIKey is KOIRWBVOUZCCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3/c1-18-14-19(2)16-22(15-18)24-12-7-20(8-13-24)25-11-5-6-21(17-25)23-9-3-4-10-23/h14-16,20-21H,3-13,17H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)-4-(3-pyrrolidin-1-ylpiperidin-1-yl)piperidine?
1-(3,5-dimethylphenyl)-4-(3-pyrrolidin-1-ylpiperidin-1-yl)piperidine has a molecular weight of 341.54 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-4-(3-pyrrolidin-1-ylpiperidin-1-yl)piperidine is sourced from PubChem (CID 45246753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).