1-[[(3S,5R)-5-(3,5-dimethylphenyl)-1-methylpyrrolidin-3-yl]methyl]piperidine

C19H30N2 — CID 91300985

IUPAC1-[[(3S,5R)-5-(3,5-dimethylphenyl)-1-methylpyrrolidin-3-yl]methyl]piperidine
SMILESCc1cc(C)cc([C@H]2C[C@@H](CN3CCCCC3)CN2C)c1
InChIInChI=1S/C19H30N2/c1-15-9-16(2)11-18(10-15)19-12-17(13-20(19)3)14-21-7-5-4-6-8-21/h9-11,17,19H,4-8,12-14H2,1-3H3/t17-,19-/m1/s1
InChIKeyGIXBMSQQEJLCCM-IEBWSBKVSA-N
MW286.46 g/mol
LogP3.78
Rot. Bonds3

About 1-[[(3S,5R)-5-(3,5-dimethylphenyl)-1-methylpyrrolidin-3-yl]methyl]piperidine

1-[[(3S,5R)-5-(3,5-dimethylphenyl)-1-methylpyrrolidin-3-yl]methyl]piperidine (PubChem CID 91300985) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-[[(3S,5R)-5-(3,5-dimethylphenyl)-1-methylpyrrolidin-3-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[(3S,5R)-5-(3,5-dimethylphenyl)-1-methylpyrrolidin-3-yl]methyl]piperidine
PubChem CID91300985
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-[[(3S,5R)-5-(3,5-dimethylphenyl)-1-methylpyrrolidin-3-yl]methyl]piperidine
SMILESCc1cc(C)cc([C@H]2C[C@@H](CN3CCCCC3)CN2C)c1
InChIInChI=1S/C19H30N2/c1-15-9-16(2)11-18(10-15)19-12-17(13-20(19)3)14-21-7-5-4-6-8-21/h9-11,17,19H,4-8,12-14H2,1-3H3/t17-,19-/m1/s1
InChIKeyGIXBMSQQEJLCCM-IEBWSBKVSA-N
XLogP3.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117490871
[5-(3-bromo-5-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117463198
1-[(3-methylcyclobutyl)methyl]piperidine
CID 120999950
1-[[(3S)-3,6-dimethylcycloheptyl]methyl]piperidine
CID 137427496
[1-methyl-5-(7-methyl-1,3-benzodioxol-5-yl)pyrrolidin-3-yl]methanamine
CID 117374150
[5-(3-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117434115
[5-(4-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117434114
3-(azepan-1-ylmethyl)-1-methylazocane
CID 129168492
1-[(3,5-dimethylphenyl)methyl]pyrrolidine
CID 90278828
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-tert-butyl-4-methylphenol
CID 117443150
1-[(2,5-dimethyl-3,4-dihydropyrazol-4-yl)methyl]piperidine
CID 143811923
[1-methyl-5-(3-phenylphenyl)pyrrolidin-3-yl]methanamine
CID 117420358

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S,5R)-5-(3,5-dimethylphenyl)-1-methylpyrrolidin-3-yl]methyl]piperidine?
The IUPAC name of 1-[[(3S,5R)-5-(3,5-dimethylphenyl)-1-methylpyrrolidin-3-yl]methyl]piperidine (CID 91300985) is 1-[[(3S,5R)-5-(3,5-dimethylphenyl)-1-methylpyrrolidin-3-yl]methyl]piperidine.
What is the SMILES notation for 1-[[(3S,5R)-5-(3,5-dimethylphenyl)-1-methylpyrrolidin-3-yl]methyl]piperidine?
The canonical SMILES for 1-[[(3S,5R)-5-(3,5-dimethylphenyl)-1-methylpyrrolidin-3-yl]methyl]piperidine is Cc1cc(C)cc([C@H]2C[C@@H](CN3CCCCC3)CN2C)c1.
What is the InChIKey of 1-[[(3S,5R)-5-(3,5-dimethylphenyl)-1-methylpyrrolidin-3-yl]methyl]piperidine?
The InChIKey is GIXBMSQQEJLCCM-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H30N2/c1-15-9-16(2)11-18(10-15)19-12-17(13-20(19)3)14-21-7-5-4-6-8-21/h9-11,17,19H,4-8,12-14H2,1-3H3/t17-,19-/m1/s1.
What are the key properties of 1-[[(3S,5R)-5-(3,5-dimethylphenyl)-1-methylpyrrolidin-3-yl]methyl]piperidine?
1-[[(3S,5R)-5-(3,5-dimethylphenyl)-1-methylpyrrolidin-3-yl]methyl]piperidine has a molecular weight of 286.46 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S,5R)-5-(3,5-dimethylphenyl)-1-methylpyrrolidin-3-yl]methyl]piperidine is sourced from PubChem (CID 91300985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).