1-[(4-chlorophenyl)methyl]-3-fluoro-N,N-dimethylpiperidin-4-amine

C14H20ClFN2 — CID 67518743

IUPAC1-[(4-chlorophenyl)methyl]-3-fluoro-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(Cc2ccc(Cl)cc2)CC1F
InChIInChI=1S/C14H20ClFN2/c1-17(2)14-7-8-18(10-13(14)16)9-11-3-5-12(15)6-4-11/h3-6,13-14H,7-10H2,1-2H3
InChIKeyZSJPKGLBXQVLJD-UHFFFAOYSA-N
MW270.78 g/mol
LogP2.81
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-3-fluoro-N,N-dimethylpiperidin-4-amine

1-[(4-chlorophenyl)methyl]-3-fluoro-N,N-dimethylpiperidin-4-amine (PubChem CID 67518743) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-fluoro-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-fluoro-N,N-dimethylpiperidin-4-amine
PubChem CID67518743
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name1-[(4-chlorophenyl)methyl]-3-fluoro-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(Cc2ccc(Cl)cc2)CC1F
InChIInChI=1S/C14H20ClFN2/c1-17(2)14-7-8-18(10-13(14)16)9-11-3-5-12(15)6-4-11/h3-6,13-14H,7-10H2,1-2H3
InChIKeyZSJPKGLBXQVLJD-UHFFFAOYSA-N
XLogP2.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Chlorcyclizine
CID 2710
Homochlorcyclizine
CID 3627
Chlorcyclizine Hydrochloride
CID 62413
Clocinizine
CID 5375618
Piperazine, 1-[(4-chlorophenyl)methyl]-, hydrochloride (1:1)
CID 20437422
Homochlorcyclizine dihydrochloride
CID 656590
1-((4-Chlorophenyl)(phenyl)methyl)-4-methyl-1,4-diazepane--hydrogen chloride (1/1)
CID 6602662
1-(2-Chloro-6-fluoro-benzyl)-4-methyl-piperazine
CID 677773
Chlorcyclizine, (R)-
CID 688438
4-Chlorobenzylpiperazine
CID 134826
1-benzyl-4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazine
CID 10782419
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane
CID 5393145

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-fluoro-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-fluoro-N,N-dimethylpiperidin-4-amine (CID 67518743) is 1-[(4-chlorophenyl)methyl]-3-fluoro-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-fluoro-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-fluoro-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(Cc2ccc(Cl)cc2)CC1F.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-fluoro-N,N-dimethylpiperidin-4-amine?
The InChIKey is ZSJPKGLBXQVLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-17(2)14-7-8-18(10-13(14)16)9-11-3-5-12(15)6-4-11/h3-6,13-14H,7-10H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-fluoro-N,N-dimethylpiperidin-4-amine?
1-[(4-chlorophenyl)methyl]-3-fluoro-N,N-dimethylpiperidin-4-amine has a molecular weight of 270.78 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-fluoro-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 67518743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).