1-benzyl-N,3,5-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine;hydrochloride

C21H36ClN3 — CID 120901766

IUPAC1-benzyl-N,3,5-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCC1CN(Cc2ccccc2)CC(C)C1N(C)CC1(C)CCNC1.Cl
InChIInChI=1S/C21H35N3.ClH/c1-17-12-24(14-19-8-6-5-7-9-19)13-18(2)20(17)23(4)16-21(3)10-11-22-15-21;/h5-9,17-18,20,22H,10-16H2,1-4H3;1H
InChIKeyAWVHMGDLYNECSY-UHFFFAOYSA-N
MW365.99 g/mol
LogP3.50
Rot. Bonds5

About 1-benzyl-N,3,5-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine;hydrochloride

1-benzyl-N,3,5-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine;hydrochloride (PubChem CID 120901766) has the molecular formula C21H36ClN3 and a molecular weight of 365.99 g/mol. Its IUPAC name is 1-benzyl-N,3,5-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-N,3,5-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine;hydrochloride
PubChem CID120901766
Molecular FormulaC21H36ClN3
Molecular Weight365.99 g/mol
Exact Mass365.26
IUPAC Name1-benzyl-N,3,5-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCC1CN(Cc2ccccc2)CC(C)C1N(C)CC1(C)CCNC1.Cl
InChIInChI=1S/C21H35N3.ClH/c1-17-12-24(14-19-8-6-5-7-9-19)13-18(2)20(17)23(4)16-21(3)10-11-22-15-21;/h5-9,17-18,20,22H,10-16H2,1-4H3;1H
InChIKeyAWVHMGDLYNECSY-UHFFFAOYSA-N
XLogP3.50
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.99
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-ethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120902348
3-benzyl-3-methylpyrrolidine
CID 58254769
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
(1-benzyl-4-methylpyrrolidin-3-yl)methanol
CID 18713552
(3S,5R)-1-benzyl-3,5-dimethylpiperidine-4,4-diol
CID 143088563
N-methyl-1-(3-methylpyrrolidin-3-yl)-N-[(1-phenylcyclopropyl)methyl]methanamine;hydrochloride
CID 120904384
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride
CID 119900601
(3R,4S)-1-benzyl-3-ethyl-4-methylpyrrolidine
CID 58977345
(3R,4R)-1-benzyl-3-ethyl-4-methylpyrrolidine
CID 58977426
(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
CID 119826732
(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-amine
CID 92979356
(3R,5R)-1-benzyl-4-bromo-3,5-dimethylpiperidine
CID 97176892

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N,3,5-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of 1-benzyl-N,3,5-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine;hydrochloride (CID 120901766) is 1-benzyl-N,3,5-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-benzyl-N,3,5-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-benzyl-N,3,5-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine;hydrochloride is CC1CN(Cc2ccccc2)CC(C)C1N(C)CC1(C)CCNC1.Cl.
What is the InChIKey of 1-benzyl-N,3,5-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine;hydrochloride?
The InChIKey is AWVHMGDLYNECSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3.ClH/c1-17-12-24(14-19-8-6-5-7-9-19)13-18(2)20(17)23(4)16-21(3)10-11-22-15-21;/h5-9,17-18,20,22H,10-16H2,1-4H3;1H.
What are the key properties of 1-benzyl-N,3,5-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine;hydrochloride?
1-benzyl-N,3,5-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine;hydrochloride has a molecular weight of 365.99 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N,3,5-trimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 120901766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).