1-Benzylpiperidine

C12H17N — CID 76190

IUPAC1-benzylpiperidine
SMILESC1CCN(CC1)CC2=CC=CC=C2
InChIInChI=1S/C12H17N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeyNZVZVGPYTICZBZ-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.60
Rot. Bonds2

About 1-Benzylpiperidine

1-Benzylpiperidine (PubChem CID 76190) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 1-benzylpiperidine.

Molecular Properties

Compound Name1-Benzylpiperidine
PubChem CID76190
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name1-benzylpiperidine
SMILESC1CCN(CC1)CC2=CC=CC=C2
InChIInChI=1S/C12H17N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-11H2
InChIKeyNZVZVGPYTICZBZ-UHFFFAOYSA-N
XLogP2.60
TPSA3.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity132

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-Benzylpiperidine?
The IUPAC name of 1-Benzylpiperidine (CID 76190) is 1-benzylpiperidine.
What is the SMILES notation for 1-Benzylpiperidine?
The canonical SMILES for 1-Benzylpiperidine is C1CCN(CC1)CC2=CC=CC=C2.
What is the InChIKey of 1-Benzylpiperidine?
The InChIKey is NZVZVGPYTICZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1,3-4,7-8H,2,5-6,9-11H2.
What are the key properties of 1-Benzylpiperidine?
1-Benzylpiperidine has a molecular weight of 175.27 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Benzylpiperidine is sourced from PubChem (CID 76190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).