3-[(3-benzyl-2-methylpyrrolidin-1-yl)methyl]piperidine

C18H28N2 — CID 119932171

IUPAC3-[(3-benzyl-2-methylpyrrolidin-1-yl)methyl]piperidine
SMILESCC1C(Cc2ccccc2)CCN1CC1CCCNC1
InChIInChI=1S/C18H28N2/c1-15-18(12-16-6-3-2-4-7-16)9-11-20(15)14-17-8-5-10-19-13-17/h2-4,6-7,15,17-19H,5,8-14H2,1H3
InChIKeyDOJSRDFTXRFWGF-UHFFFAOYSA-N
MW272.44 g/mol
LogP2.94
Rot. Bonds4

About 3-[(3-benzyl-2-methylpyrrolidin-1-yl)methyl]piperidine

3-[(3-benzyl-2-methylpyrrolidin-1-yl)methyl]piperidine (PubChem CID 119932171) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 3-[(3-benzyl-2-methylpyrrolidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(3-benzyl-2-methylpyrrolidin-1-yl)methyl]piperidine
PubChem CID119932171
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name3-[(3-benzyl-2-methylpyrrolidin-1-yl)methyl]piperidine
SMILESCC1C(Cc2ccccc2)CCN1CC1CCCNC1
InChIInChI=1S/C18H28N2/c1-15-18(12-16-6-3-2-4-7-16)9-11-20(15)14-17-8-5-10-19-13-17/h2-4,6-7,15,17-19H,5,8-14H2,1H3
InChIKeyDOJSRDFTXRFWGF-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,3R)-3-benzyl-2-methylpyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 125134096
(2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine
CID 155286796
3-[(2R,3R)-3-benzyl-2-methylpyrrolidin-1-yl]propanoic acid
CID 125130836
3-[(2S,3R)-3-benzyl-2-methylpyrrolidin-1-yl]propanoic acid
CID 125130835
3-[(2S,3S)-3-benzyl-2-methylpyrrolidin-1-yl]propanoic acid
CID 125130834
2,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 120857311
4-phenylmethoxy-1-[[(3R)-piperidin-3-yl]methyl]piperidine
CID 95895392
4-[(2S,3R)-3-benzyl-2-methylpyrrolidin-1-yl]butanoic acid
CID 125130829
3-[(1-benzylpyrrolidin-2-yl)methyl]piperidine
CID 82623664
2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557
2-phenyl-1-[4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 119930059
2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 175706798

Frequently Asked Questions

What is the IUPAC name of 3-[(3-benzyl-2-methylpyrrolidin-1-yl)methyl]piperidine?
The IUPAC name of 3-[(3-benzyl-2-methylpyrrolidin-1-yl)methyl]piperidine (CID 119932171) is 3-[(3-benzyl-2-methylpyrrolidin-1-yl)methyl]piperidine.
What is the SMILES notation for 3-[(3-benzyl-2-methylpyrrolidin-1-yl)methyl]piperidine?
The canonical SMILES for 3-[(3-benzyl-2-methylpyrrolidin-1-yl)methyl]piperidine is CC1C(Cc2ccccc2)CCN1CC1CCCNC1.
What is the InChIKey of 3-[(3-benzyl-2-methylpyrrolidin-1-yl)methyl]piperidine?
The InChIKey is DOJSRDFTXRFWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-15-18(12-16-6-3-2-4-7-16)9-11-20(15)14-17-8-5-10-19-13-17/h2-4,6-7,15,17-19H,5,8-14H2,1H3.
What are the key properties of 3-[(3-benzyl-2-methylpyrrolidin-1-yl)methyl]piperidine?
3-[(3-benzyl-2-methylpyrrolidin-1-yl)methyl]piperidine has a molecular weight of 272.44 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-benzyl-2-methylpyrrolidin-1-yl)methyl]piperidine is sourced from PubChem (CID 119932171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).