1-[(3-chloro-5-fluorophenyl)methyl]-3-ethylpiperidin-4-amine

C14H20ClFN2 — CID 114453815

IUPAC1-[(3-chloro-5-fluorophenyl)methyl]-3-ethylpiperidin-4-amine
SMILESCCC1CN(Cc2cc(F)cc(Cl)c2)CCC1N
InChIInChI=1S/C14H20ClFN2/c1-2-11-9-18(4-3-14(11)17)8-10-5-12(15)7-13(16)6-10/h5-7,11,14H,2-4,8-9,17H2,1H3
InChIKeyWISRBDLCMBQCNZ-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.04
Rot. Bonds3

About 1-[(3-chloro-5-fluorophenyl)methyl]-3-ethylpiperidin-4-amine

1-[(3-chloro-5-fluorophenyl)methyl]-3-ethylpiperidin-4-amine (PubChem CID 114453815) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-[(3-chloro-5-fluorophenyl)methyl]-3-ethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(3-chloro-5-fluorophenyl)methyl]-3-ethylpiperidin-4-amine
PubChem CID114453815
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name1-[(3-chloro-5-fluorophenyl)methyl]-3-ethylpiperidin-4-amine
SMILESCCC1CN(Cc2cc(F)cc(Cl)c2)CCC1N
InChIInChI=1S/C14H20ClFN2/c1-2-11-9-18(4-3-14(11)17)8-10-5-12(15)7-13(16)6-10/h5-7,11,14H,2-4,8-9,17H2,1H3
InChIKeyWISRBDLCMBQCNZ-UHFFFAOYSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 81457034
3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
CID 81457375
3-ethyl-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-amine
CID 81456953
1-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 62068422
(2R)-4-[(3-chloro-5-fluorophenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine
CID 95727734
3-ethyl-1-(pyrimidin-2-ylmethyl)piperidin-4-amine
CID 81460638
1-[(3-chloro-5-fluorophenyl)methyl]-5-methylpiperidin-3-amine
CID 114453810
3-ethyl-1-[[3-(methoxymethyl)phenyl]methyl]piperidin-4-amine
CID 81457828
1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-ethylpiperidin-4-amine
CID 81460276
methyl 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]benzoate
CID 81457170
3-ethyl-1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-amine
CID 81457613
3-chloro-1-[(3,5-difluorophenyl)methyl]-4-methylpiperidine
CID 102960013

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-5-fluorophenyl)methyl]-3-ethylpiperidin-4-amine?
The IUPAC name of 1-[(3-chloro-5-fluorophenyl)methyl]-3-ethylpiperidin-4-amine (CID 114453815) is 1-[(3-chloro-5-fluorophenyl)methyl]-3-ethylpiperidin-4-amine.
What is the SMILES notation for 1-[(3-chloro-5-fluorophenyl)methyl]-3-ethylpiperidin-4-amine?
The canonical SMILES for 1-[(3-chloro-5-fluorophenyl)methyl]-3-ethylpiperidin-4-amine is CCC1CN(Cc2cc(F)cc(Cl)c2)CCC1N.
What is the InChIKey of 1-[(3-chloro-5-fluorophenyl)methyl]-3-ethylpiperidin-4-amine?
The InChIKey is WISRBDLCMBQCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-2-11-9-18(4-3-14(11)17)8-10-5-12(15)7-13(16)6-10/h5-7,11,14H,2-4,8-9,17H2,1H3.
What are the key properties of 1-[(3-chloro-5-fluorophenyl)methyl]-3-ethylpiperidin-4-amine?
1-[(3-chloro-5-fluorophenyl)methyl]-3-ethylpiperidin-4-amine has a molecular weight of 270.78 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-5-fluorophenyl)methyl]-3-ethylpiperidin-4-amine is sourced from PubChem (CID 114453815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).