1-[1-(4-fluorophenyl)ethyl]-3-methylpiperidin-4-amine

C14H21FN2 — CID 54975955

IUPAC1-[1-(4-fluorophenyl)ethyl]-3-methylpiperidin-4-amine
SMILESCC1CN(C(C)c2ccc(F)cc2)CCC1N
InChIInChI=1S/C14H21FN2/c1-10-9-17(8-7-14(10)16)11(2)12-3-5-13(15)6-4-12/h3-6,10-11,14H,7-9,16H2,1-2H3
InChIKeyPHBSBRSICOUIBY-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.56
Rot. Bonds2

About 1-[1-(4-fluorophenyl)ethyl]-3-methylpiperidin-4-amine

1-[1-(4-fluorophenyl)ethyl]-3-methylpiperidin-4-amine (PubChem CID 54975955) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethyl]-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethyl]-3-methylpiperidin-4-amine
PubChem CID54975955
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-[1-(4-fluorophenyl)ethyl]-3-methylpiperidin-4-amine
SMILESCC1CN(C(C)c2ccc(F)cc2)CCC1N
InChIInChI=1S/C14H21FN2/c1-10-9-17(8-7-14(10)16)11(2)12-3-5-13(15)6-4-12/h3-6,10-11,14H,7-9,16H2,1-2H3
InChIKeyPHBSBRSICOUIBY-UHFFFAOYSA-N
XLogP2.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-bromophenyl)ethyl]-3-methylpiperidin-4-amine;hydrochloride
CID 119925286
3-methyl-1-[1-(4-nitrophenyl)ethyl]piperidin-4-amine
CID 79880151
1-[1-(3,4-dichlorophenyl)ethyl]-3-methylpiperidin-4-amine
CID 79879111
(3S)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-ol
CID 126787911
(3S)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-methylpiperazine
CID 96801118
4-methyl-1-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 103575368
1-[1-(4-fluorophenyl)ethyl]-5-methylpiperidin-3-amine
CID 79986421
4-methyl-1-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine
CID 103575456
[1-[1-(4-iodophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine
CID 114083156
1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine
CID 174450752
1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917726
3-methyl-1-(1-phenylpropyl)piperidin-4-amine
CID 55058050

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-3-methylpiperidin-4-amine?
The IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-3-methylpiperidin-4-amine (CID 54975955) is 1-[1-(4-fluorophenyl)ethyl]-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethyl]-3-methylpiperidin-4-amine?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethyl]-3-methylpiperidin-4-amine is CC1CN(C(C)c2ccc(F)cc2)CCC1N.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethyl]-3-methylpiperidin-4-amine?
The InChIKey is PHBSBRSICOUIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10-9-17(8-7-14(10)16)11(2)12-3-5-13(15)6-4-12/h3-6,10-11,14H,7-9,16H2,1-2H3.
What are the key properties of 1-[1-(4-fluorophenyl)ethyl]-3-methylpiperidin-4-amine?
1-[1-(4-fluorophenyl)ethyl]-3-methylpiperidin-4-amine has a molecular weight of 236.33 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)ethyl]-3-methylpiperidin-4-amine is sourced from PubChem (CID 54975955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).