3-[1-(6-chlorohexyl)pyrrolidin-2-yl]propan-1-ol

Name: 3-[1-(6-chlorohexyl)pyrrolidin-2-yl]propan-1-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₂₆ClNO — CID 62468711

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

IUPAC3-[1-(6-chlorohexyl)pyrrolidin-2-yl]propan-1-ol

SMILESOCCCC1CCCN1CCCCCCCl

InChIInChI=1S/C13H26ClNO/c14-9-3-1-2-4-10-15-11-5-7-13(15)8-6-12-16/h13,16H,1-12H2

InChIKeyZPCHSWLXHPBDLL-UHFFFAOYSA-N

MW247.81 g/mol

LogP3.02

Rot. Bonds9

About 3-[1-(6-chlorohexyl)pyrrolidin-2-yl]propan-1-ol

3-[1-(6-chlorohexyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 62468711) has the molecular formula C₁₃H₂₆ClNO and a molecular weight of 247.81 g/mol. Its IUPAC name is 3-[1-(6-chlorohexyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name	3-[1-(6-chlorohexyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID	62468711
Molecular Formula	C₁₃H₂₆ClNO
Molecular Weight	247.81 g/mol
Exact Mass	247.17
IUPAC Name	3-[1-(6-chlorohexyl)pyrrolidin-2-yl]propan-1-ol
SMILES	OCCCC1CCCN1CCCCCCCl
InChI	InChI=1S/C13H26ClNO/c14-9-3-1-2-4-10-15-11-5-7-13(15)8-6-12-16/h13,16H,1-12H2
InChIKey	ZPCHSWLXHPBDLL-UHFFFAOYSA-N
XLogP	3.02
TPSA	23.47 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	9
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	247.81
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-chlorohexyl)pyrrolidin-2-yl]propan-1-ol?

The IUPAC name of 3-[1-(6-chlorohexyl)pyrrolidin-2-yl]propan-1-ol (CID 62468711) is 3-[1-(6-chlorohexyl)pyrrolidin-2-yl]propan-1-ol.

What is the SMILES notation for 3-[1-(6-chlorohexyl)pyrrolidin-2-yl]propan-1-ol?

The canonical SMILES for 3-[1-(6-chlorohexyl)pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1CCCCCCCl.

What is the InChIKey of 3-[1-(6-chlorohexyl)pyrrolidin-2-yl]propan-1-ol?

The InChIKey is ZPCHSWLXHPBDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClNO/c14-9-3-1-2-4-10-15-11-5-7-13(15)8-6-12-16/h13,16H,1-12H2.

What are the key properties of 3-[1-(6-chlorohexyl)pyrrolidin-2-yl]propan-1-ol?

3-[1-(6-chlorohexyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 247.81 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(6-chlorohexyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62468711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 62468711 — identifiers, structure, computed properties (public domain)

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