4-methyl-4-(pyrrolidin-1-ylmethyl)piperidine

C11H22N2 — CID 63122996

IUPAC4-methyl-4-(pyrrolidin-1-ylmethyl)piperidine
SMILESCC1(CN2CCCC2)CCNCC1
InChIInChI=1S/C11H22N2/c1-11(4-6-12-7-5-11)10-13-8-2-3-9-13/h12H,2-10H2,1H3
InChIKeyZEWTWBBKVNUAFS-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.47
Rot. Bonds2

About 4-methyl-4-(pyrrolidin-1-ylmethyl)piperidine

4-methyl-4-(pyrrolidin-1-ylmethyl)piperidine (PubChem CID 63122996) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-methyl-4-(pyrrolidin-1-ylmethyl)piperidine.

Molecular Properties

Compound Name4-methyl-4-(pyrrolidin-1-ylmethyl)piperidine
PubChem CID63122996
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name4-methyl-4-(pyrrolidin-1-ylmethyl)piperidine
SMILESCC1(CN2CCCC2)CCNCC1
InChIInChI=1S/C11H22N2/c1-11(4-6-12-7-5-11)10-13-8-2-3-9-13/h12H,2-10H2,1H3
InChIKeyZEWTWBBKVNUAFS-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 4-methyl-4-(pyrrolidin-1-ylmethyl)piperidine?
The IUPAC name of 4-methyl-4-(pyrrolidin-1-ylmethyl)piperidine (CID 63122996) is 4-methyl-4-(pyrrolidin-1-ylmethyl)piperidine.
What is the SMILES notation for 4-methyl-4-(pyrrolidin-1-ylmethyl)piperidine?
The canonical SMILES for 4-methyl-4-(pyrrolidin-1-ylmethyl)piperidine is CC1(CN2CCCC2)CCNCC1.
What is the InChIKey of 4-methyl-4-(pyrrolidin-1-ylmethyl)piperidine?
The InChIKey is ZEWTWBBKVNUAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-11(4-6-12-7-5-11)10-13-8-2-3-9-13/h12H,2-10H2,1H3.
What are the key properties of 4-methyl-4-(pyrrolidin-1-ylmethyl)piperidine?
4-methyl-4-(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 4-methyl-4-(pyrrolidin-1-ylmethyl)piperidine is sourced from PubChem (CID 63122996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).