1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine

C11H22N2 — CID 19028453

IUPAC1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine
SMILESCN1CCCC(CN2CCCC2)C1
InChIInChI=1S/C11H22N2/c1-12-6-4-5-11(9-12)10-13-7-2-3-8-13/h11H,2-10H2,1H3
InChIKeyFEJFAOFAZQWLNH-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.42
Rot. Bonds2

About 1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine

1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine (PubChem CID 19028453) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine
PubChem CID19028453
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine
SMILESCN1CCCC(CN2CCCC2)C1
InChIInChI=1S/C11H22N2/c1-12-6-4-5-11(9-12)10-13-7-2-3-8-13/h11H,2-10H2,1H3
InChIKeyFEJFAOFAZQWLNH-UHFFFAOYSA-N
XLogP1.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[[(3R)-1-methylpiperidin-3-yl]methyl]piperidin-4-ol
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[1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanamine
CID 156595342
(3S)-1-ethyl-3-[[4-(1-methylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine
CID 171641277
3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine
CID 91076438
1,4-bis[(1-methylazetidin-3-yl)methyl]piperazine
CID 169319674
ethane;3-ethyl-1-methylpiperidine
CID 142833851
(3S)-3-(chloromethyl)-1-methylpiperidine
CID 1268113
ethane;1-ethyl-3-[[4-[(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]methyl]piperidine
CID 171641483
1-(2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine
CID 97185936
1-ethyl-3-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]piperidine
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(3S)-3-(methoxymethyl)-1-methylpiperidine
CID 58134332

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine?
The IUPAC name of 1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine (CID 19028453) is 1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine.
What is the SMILES notation for 1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine?
The canonical SMILES for 1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine is CN1CCCC(CN2CCCC2)C1.
What is the InChIKey of 1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine?
The InChIKey is FEJFAOFAZQWLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-12-6-4-5-11(9-12)10-13-7-2-3-8-13/h11H,2-10H2,1H3.
What are the key properties of 1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine?
1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine has a molecular weight of 182.31 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine is sourced from PubChem (CID 19028453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).