3-methyl-2-(pyrrolidin-1-ylmethyl)piperidine

C11H22N2 — CID 15165784

IUPAC3-methyl-2-(pyrrolidin-1-ylmethyl)piperidine
SMILESCC1CCCNC1CN1CCCC1
InChIInChI=1S/C11H22N2/c1-10-5-4-6-12-11(10)9-13-7-2-3-8-13/h10-12H,2-9H2,1H3
InChIKeyNDUDLSYFHAGEOE-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.47
Rot. Bonds2

About 3-methyl-2-(pyrrolidin-1-ylmethyl)piperidine

3-methyl-2-(pyrrolidin-1-ylmethyl)piperidine (PubChem CID 15165784) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-methyl-2-(pyrrolidin-1-ylmethyl)piperidine.

Molecular Properties

Compound Name3-methyl-2-(pyrrolidin-1-ylmethyl)piperidine
PubChem CID15165784
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-methyl-2-(pyrrolidin-1-ylmethyl)piperidine
SMILESCC1CCCNC1CN1CCCC1
InChIInChI=1S/C11H22N2/c1-10-5-4-6-12-11(10)9-13-7-2-3-8-13/h10-12H,2-9H2,1H3
InChIKeyNDUDLSYFHAGEOE-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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(pyrrolidin-1-ylmethyl)piperidine?
The IUPAC name of 3-methyl-2-(pyrrolidin-1-ylmethyl)piperidine (CID 15165784) is 3-methyl-2-(pyrrolidin-1-ylmethyl)piperidine.
What is the SMILES notation for 3-methyl-2-(pyrrolidin-1-ylmethyl)piperidine?
The canonical SMILES for 3-methyl-2-(pyrrolidin-1-ylmethyl)piperidine is CC1CCCNC1CN1CCCC1.
What is the InChIKey of 3-methyl-2-(pyrrolidin-1-ylmethyl)piperidine?
The InChIKey is NDUDLSYFHAGEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-10-5-4-6-12-11(10)9-13-7-2-3-8-13/h10-12H,2-9H2,1H3.
What are the key properties of 3-methyl-2-(pyrrolidin-1-ylmethyl)piperidine?
3-methyl-2-(pyrrolidin-1-ylmethyl)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-methyl-2-(pyrrolidin-1-ylmethyl)piperidine is sourced from PubChem (CID 15165784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).