piperidine

C30H66N6 — CID 67585145

IUPACpiperidine
SMILESC1CCNCC1.C1CCNCC1.C1CCNCC1.C1CCNCC1.C1CCNCC1.C1CCNCC1
InChIInChI=1S/6C5H11N/c6*1-2-4-6-5-3-1/h6*6H,1-5H2
InChIKeyPIWCBKZYJWJAHT-UHFFFAOYSA-N
MW510.90 g/mol
LogP4.56
Rot. Bonds

About piperidine

piperidine (PubChem CID 67585145) has the molecular formula C30H66N6 and a molecular weight of 510.90 g/mol. Its IUPAC name is piperidine.

Molecular Properties

Compound Namepiperidine
PubChem CID67585145
Molecular FormulaC30H66N6
Molecular Weight510.90 g/mol
Exact Mass510.53
IUPAC Namepiperidine
SMILESC1CCNCC1.C1CCNCC1.C1CCNCC1.C1CCNCC1.C1CCNCC1.C1CCNCC1
InChIInChI=1S/6C5H11N/c6*1-2-4-6-5-3-1/h6*6H,1-5H2
InChIKeyPIWCBKZYJWJAHT-UHFFFAOYSA-N
XLogP4.56
TPSA72.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.90
LogP ≤ 54.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of piperidine?
The IUPAC name of piperidine (CID 67585145) is piperidine.
What is the SMILES notation for piperidine?
The canonical SMILES for piperidine is C1CCNCC1.C1CCNCC1.C1CCNCC1.C1CCNCC1.C1CCNCC1.C1CCNCC1.
What is the InChIKey of piperidine?
The InChIKey is PIWCBKZYJWJAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/6C5H11N/c6*1-2-4-6-5-3-1/h6*6H,1-5H2.
What are the key properties of piperidine?
piperidine has a molecular weight of 510.90 g/mol, XLogP of 4.56, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine is sourced from PubChem (CID 67585145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).