Piperidine-1-carboxylic acid;triphenylphosphane

Name: Piperidine-1-carboxylic acid;triphenylphosphane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₄H₂₆NO₂P — CID 159814521

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACpiperidine-1-carboxylic acid;triphenylphosphane

SMILESO=C(O)N1CCCCC1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

InChIInChI=1S/C18H15P.C6H11NO2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-6(9)7-4-2-1-3-5-7/h1-15H;1-5H2,(H,8,9)

InChIKeyNLLDTTNUGNIJQI-UHFFFAOYSA-N

MW391.45 g/mol

LogP4.60

Rot. Bonds3

About Piperidine-1-carboxylic acid;triphenylphosphane

Piperidine-1-carboxylic acid;triphenylphosphane (PubChem CID 159814521) has the molecular formula C₂₄H₂₆NO₂P and a molecular weight of 391.45 g/mol. Its IUPAC name is piperidine-1-carboxylic acid;triphenylphosphane.

Molecular Properties

Compound Name	Piperidine-1-carboxylic acid;triphenylphosphane
PubChem CID	159814521
Molecular Formula	C₂₄H₂₆NO₂P
Molecular Weight	391.45 g/mol
Exact Mass	391.17
IUPAC Name	piperidine-1-carboxylic acid;triphenylphosphane
SMILES	O=C(O)N1CCCCC1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChI	InChI=1S/C18H15P.C6H11NO2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-6(9)7-4-2-1-3-5-7/h1-15H;1-5H2,(H,8,9)
InChIKey	NLLDTTNUGNIJQI-UHFFFAOYSA-N
XLogP	4.60
TPSA	40.54 Å²
H-Bond Donors	1
H-Bond Acceptors	1
Rotatable Bonds	3
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.45
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Piperidine-1-carboxylic acid;triphenylphosphane?

The IUPAC name of Piperidine-1-carboxylic acid;triphenylphosphane (CID 159814521) is piperidine-1-carboxylic acid;triphenylphosphane.

What is the SMILES notation for Piperidine-1-carboxylic acid;triphenylphosphane?

The canonical SMILES for Piperidine-1-carboxylic acid;triphenylphosphane is O=C(O)N1CCCCC1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of Piperidine-1-carboxylic acid;triphenylphosphane?

The InChIKey is NLLDTTNUGNIJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C6H11NO2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-6(9)7-4-2-1-3-5-7/h1-15H;1-5H2,(H,8,9).

What are the key properties of Piperidine-1-carboxylic acid;triphenylphosphane?

Piperidine-1-carboxylic acid;triphenylphosphane has a molecular weight of 391.45 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Piperidine-1-carboxylic acid;triphenylphosphane is sourced from PubChem (CID 159814521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 159814521 — identifiers, structure, computed properties (public domain)

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