4-(1-chloroethyl)-1-[(5-fluoro-2-methylphenyl)methyl]piperidine

C15H21ClFN — CID 106838045

IUPAC4-(1-chloroethyl)-1-[(5-fluoro-2-methylphenyl)methyl]piperidine
SMILESCc1ccc(F)cc1CN1CCC(C(C)Cl)CC1
InChIInChI=1S/C15H21ClFN/c1-11-3-4-15(17)9-14(11)10-18-7-5-13(6-8-18)12(2)16/h3-4,9,12-13H,5-8,10H2,1-2H3
InChIKeyOJSHHCVAWNUCJG-UHFFFAOYSA-N
MW269.79 g/mol
LogP3.97
Rot. Bonds3

About 4-(1-chloroethyl)-1-[(5-fluoro-2-methylphenyl)methyl]piperidine

4-(1-chloroethyl)-1-[(5-fluoro-2-methylphenyl)methyl]piperidine (PubChem CID 106838045) has the molecular formula C15H21ClFN and a molecular weight of 269.79 g/mol. Its IUPAC name is 4-(1-chloroethyl)-1-[(5-fluoro-2-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-(1-chloroethyl)-1-[(5-fluoro-2-methylphenyl)methyl]piperidine
PubChem CID106838045
Molecular FormulaC15H21ClFN
Molecular Weight269.79 g/mol
Exact Mass269.13
IUPAC Name4-(1-chloroethyl)-1-[(5-fluoro-2-methylphenyl)methyl]piperidine
SMILESCc1ccc(F)cc1CN1CCC(C(C)Cl)CC1
InChIInChI=1S/C15H21ClFN/c1-11-3-4-15(17)9-14(11)10-18-7-5-13(6-8-18)12(2)16/h3-4,9,12-13H,5-8,10H2,1-2H3
InChIKeyOJSHHCVAWNUCJG-UHFFFAOYSA-N
XLogP3.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(1-chloroethyl)-1-[(5-fluoro-2-methylphenyl)methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[(5-fluoro-2-methylphenyl)methyl]pyrrolidin-3-amine
CID 24904987
[5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine
CID 103494258
1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139
1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 114345610
4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenol
CID 107701911
3-butan-2-yl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 105375654
ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 142195714
1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 103501620
1-[1-[(2-amino-5-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 106835532
4-chloro-1-[(4-fluoro-2-methylphenyl)methyl]piperidine
CID 114349079
[4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenyl]methanamine
CID 64763360
1-ethyl-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 103943629

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloroethyl)-1-[(5-fluoro-2-methylphenyl)methyl]piperidine?
The IUPAC name of 4-(1-chloroethyl)-1-[(5-fluoro-2-methylphenyl)methyl]piperidine (CID 106838045) is 4-(1-chloroethyl)-1-[(5-fluoro-2-methylphenyl)methyl]piperidine.
What is the SMILES notation for 4-(1-chloroethyl)-1-[(5-fluoro-2-methylphenyl)methyl]piperidine?
The canonical SMILES for 4-(1-chloroethyl)-1-[(5-fluoro-2-methylphenyl)methyl]piperidine is Cc1ccc(F)cc1CN1CCC(C(C)Cl)CC1.
What is the InChIKey of 4-(1-chloroethyl)-1-[(5-fluoro-2-methylphenyl)methyl]piperidine?
The InChIKey is OJSHHCVAWNUCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN/c1-11-3-4-15(17)9-14(11)10-18-7-5-13(6-8-18)12(2)16/h3-4,9,12-13H,5-8,10H2,1-2H3.
What are the key properties of 4-(1-chloroethyl)-1-[(5-fluoro-2-methylphenyl)methyl]piperidine?
4-(1-chloroethyl)-1-[(5-fluoro-2-methylphenyl)methyl]piperidine has a molecular weight of 269.79 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroethyl)-1-[(5-fluoro-2-methylphenyl)methyl]piperidine is sourced from PubChem (CID 106838045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).