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

C11H22N2 — CID 82601495

IUPAC3-[(1-methylpyrrolidin-2-yl)methyl]piperidine
SMILESCN1CCCC1CC1CCCNC1
InChIInChI=1S/C11H22N2/c1-13-7-3-5-11(13)8-10-4-2-6-12-9-10/h10-12H,2-9H2,1H3
InChIKeyDEPPQZQIXBIMHV-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.47
Rot. Bonds2

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

3-[(1-methylpyrrolidin-2-yl)methyl]piperidine (PubChem CID 82601495) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-[(1-methylpyrrolidin-2-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(1-methylpyrrolidin-2-yl)methyl]piperidine
PubChem CID82601495
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-[(1-methylpyrrolidin-2-yl)methyl]piperidine
SMILESCN1CCCC1CC1CCCNC1
InChIInChI=1S/C11H22N2/c1-13-7-3-5-11(13)8-10-4-2-6-12-9-10/h10-12H,2-9H2,1H3
InChIKeyDEPPQZQIXBIMHV-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclobutylmethyl)-1-methylpyrrolidine
CID 162366300
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-3-piperidin-3-ylpropanamide
CID 79313736
(3R)-3-(cyclopentylmethyl)piperidine
CID 94379259
(3S)-3-[(2-ethylpyrrolidin-1-yl)methyl]piperidine
CID 130522112
3-[(1-benzylpyrrolidin-2-yl)methyl]piperidine
CID 82623664
1-methyl-2-[2-[(3S)-piperidin-3-yl]oxyethyl]piperidine
CID 107912978
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
2-ethyl-1-(2-piperidin-3-ylethyl)piperidine;dihydrochloride
CID 56831677
(2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124814973
1-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)-1,4-diazepane
CID 115101680
4-methyl-1-(2-piperidin-3-ylethyl)azepane
CID 63622050
2,3-dimethyl-1-(2-piperidin-3-ylethyl)piperidine
CID 62357037

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrrolidin-2-yl)methyl]piperidine?
The IUPAC name of 3-[(1-methylpyrrolidin-2-yl)methyl]piperidine (CID 82601495) is 3-[(1-methylpyrrolidin-2-yl)methyl]piperidine.
What is the SMILES notation for 3-[(1-methylpyrrolidin-2-yl)methyl]piperidine?
The canonical SMILES for 3-[(1-methylpyrrolidin-2-yl)methyl]piperidine is CN1CCCC1CC1CCCNC1.
What is the InChIKey of 3-[(1-methylpyrrolidin-2-yl)methyl]piperidine?
The InChIKey is DEPPQZQIXBIMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-13-7-3-5-11(13)8-10-4-2-6-12-9-10/h10-12H,2-9H2,1H3.
What are the key properties of 3-[(1-methylpyrrolidin-2-yl)methyl]piperidine?
3-[(1-methylpyrrolidin-2-yl)methyl]piperidine has a molecular weight of 182.31 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrrolidin-2-yl)methyl]piperidine is sourced from PubChem (CID 82601495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).