1-[(1S)-1-(6-chloro-2-fluoro-3-methylphenyl)prop-2-enyl]piperazine;hydrochloride

Name: 1-[(1S)-1-(6-chloro-2-fluoro-3-methylphenyl)prop-2-enyl]piperazine;hydrochloride — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₉Cl₂FN₂ — CID 171166092

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

IUPAC1-[(1S)-1-(6-chloro-2-fluoro-3-methylphenyl)prop-2-enyl]piperazine;hydrochloride

SMILESC=C[C@@H](c1c(Cl)ccc(C)c1F)N1CCNCC1.Cl

InChIInChI=1S/C14H18ClFN2.ClH/c1-3-12(18-8-6-17-7-9-18)13-11(15)5-4-10(2)14(13)16;/h3-5,12,17H,1,6-9H2,2H3;1H/t12-;/m0./s1

InChIKeyYIVIYJMRZDWKBI-YDALLXLXSA-N

MW305.22 g/mol

LogP3.34

Rot. Bonds3

About 1-[(1S)-1-(6-chloro-2-fluoro-3-methylphenyl)prop-2-enyl]piperazine;hydrochloride

1-[(1S)-1-(6-chloro-2-fluoro-3-methylphenyl)prop-2-enyl]piperazine;hydrochloride (PubChem CID 171166092) has the molecular formula C₁₄H₁₉Cl₂FN₂ and a molecular weight of 305.22 g/mol. Its IUPAC name is 1-[(1S)-1-(6-chloro-2-fluoro-3-methylphenyl)prop-2-enyl]piperazine;hydrochloride.

Molecular Properties

Compound Name	1-[(1S)-1-(6-chloro-2-fluoro-3-methylphenyl)prop-2-enyl]piperazine;hydrochloride
PubChem CID	171166092
Molecular Formula	C₁₄H₁₉Cl₂FN₂
Molecular Weight	305.22 g/mol
Exact Mass	304.09
IUPAC Name	1-[(1S)-1-(6-chloro-2-fluoro-3-methylphenyl)prop-2-enyl]piperazine;hydrochloride
SMILES	C=C[C@@H](c1c(Cl)ccc(C)c1F)N1CCNCC1.Cl
InChI	InChI=1S/C14H18ClFN2.ClH/c1-3-12(18-8-6-17-7-9-18)13-11(15)5-4-10(2)14(13)16;/h3-5,12,17H,1,6-9H2,2H3;1H/t12-;/m0./s1
InChIKey	YIVIYJMRZDWKBI-YDALLXLXSA-N
XLogP	3.34
TPSA	15.27 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	3
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.22
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(6-chloro-2-fluoro-3-methylphenyl)prop-2-enyl]piperazine;hydrochloride?

The IUPAC name of 1-[(1S)-1-(6-chloro-2-fluoro-3-methylphenyl)prop-2-enyl]piperazine;hydrochloride (CID 171166092) is 1-[(1S)-1-(6-chloro-2-fluoro-3-methylphenyl)prop-2-enyl]piperazine;hydrochloride.

What is the SMILES notation for 1-[(1S)-1-(6-chloro-2-fluoro-3-methylphenyl)prop-2-enyl]piperazine;hydrochloride?

The canonical SMILES for 1-[(1S)-1-(6-chloro-2-fluoro-3-methylphenyl)prop-2-enyl]piperazine;hydrochloride is C=C[C@@H](c1c(Cl)ccc(C)c1F)N1CCNCC1.Cl.

What is the InChIKey of 1-[(1S)-1-(6-chloro-2-fluoro-3-methylphenyl)prop-2-enyl]piperazine;hydrochloride?

The InChIKey is YIVIYJMRZDWKBI-YDALLXLXSA-N. The full InChI is InChI=1S/C14H18ClFN2.ClH/c1-3-12(18-8-6-17-7-9-18)13-11(15)5-4-10(2)14(13)16;/h3-5,12,17H,1,6-9H2,2H3;1H/t12-;/m0./s1.

What are the key properties of 1-[(1S)-1-(6-chloro-2-fluoro-3-methylphenyl)prop-2-enyl]piperazine;hydrochloride?

1-[(1S)-1-(6-chloro-2-fluoro-3-methylphenyl)prop-2-enyl]piperazine;hydrochloride has a molecular weight of 305.22 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1S)-1-(6-chloro-2-fluoro-3-methylphenyl)prop-2-enyl]piperazine;hydrochloride is sourced from PubChem (CID 171166092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 171166092 — identifiers, structure, computed properties (public domain)

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