4-(pyrrolidin-1-ylmethyl)piperidine

C10H20N2 — CID 16768347

IUPAC4-(pyrrolidin-1-ylmethyl)piperidine
SMILESC1CCN(CC2CCNCC2)C1
InChIInChI=1S/C10H20N2/c1-2-8-12(7-1)9-10-3-5-11-6-4-10/h10-11H,1-9H2
InChIKeyNMCMCSHJONWGMS-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.08
Rot. Bonds2

About 4-(pyrrolidin-1-ylmethyl)piperidine

4-(pyrrolidin-1-ylmethyl)piperidine (PubChem CID 16768347) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-(pyrrolidin-1-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(pyrrolidin-1-ylmethyl)piperidine
PubChem CID16768347
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name4-(pyrrolidin-1-ylmethyl)piperidine
SMILESC1CCN(CC2CCNCC2)C1
InChIInChI=1S/C10H20N2/c1-2-8-12(7-1)9-10-3-5-11-6-4-10/h10-11H,1-9H2
InChIKeyNMCMCSHJONWGMS-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-1-ylmethyl)piperidine?
The IUPAC name of 4-(pyrrolidin-1-ylmethyl)piperidine (CID 16768347) is 4-(pyrrolidin-1-ylmethyl)piperidine.
What is the SMILES notation for 4-(pyrrolidin-1-ylmethyl)piperidine?
The canonical SMILES for 4-(pyrrolidin-1-ylmethyl)piperidine is C1CCN(CC2CCNCC2)C1.
What is the InChIKey of 4-(pyrrolidin-1-ylmethyl)piperidine?
The InChIKey is NMCMCSHJONWGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-2-8-12(7-1)9-10-3-5-11-6-4-10/h10-11H,1-9H2.
What are the key properties of 4-(pyrrolidin-1-ylmethyl)piperidine?
4-(pyrrolidin-1-ylmethyl)piperidine has a molecular weight of 168.28 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-1-ylmethyl)piperidine is sourced from PubChem (CID 16768347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).