N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine

C17H25FN2 — CID 81493286

IUPACN-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine
SMILESCC(c1cccc(F)c1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C17H25FN2/c1-13(15-3-2-4-16(18)11-15)20-9-7-17(8-10-20)19-12-14-5-6-14/h2-4,11,13-14,17,19H,5-10,12H2,1H3
InChIKeyJZGQFAGVEMILPC-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.35
Rot. Bonds5

About N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine

N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine (PubChem CID 81493286) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine
PubChem CID81493286
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC NameN-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine
SMILESCC(c1cccc(F)c1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C17H25FN2/c1-13(15-3-2-4-16(18)11-15)20-9-7-17(8-10-20)19-12-14-5-6-14/h2-4,11,13-14,17,19H,5-10,12H2,1H3
InChIKeyJZGQFAGVEMILPC-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928208
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3-fluorophenyl)propan-1-one
CID 119621964
N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512457
N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]ethanamine
CID 62512455
N-[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]benzenesulfonamide
CID 55922553
4-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]benzonitrile
CID 115306976
1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine
CID 51615755
N-(cyclopropylmethyl)-1-[1-(2,4-dimethylphenyl)ethyl]piperidin-4-amine
CID 115306890
N-(cyclopropylmethyl)-1-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine
CID 81494910
(1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81365320
N-ethyl-8-[1-(3-fluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62739517
N-(cyclopropylmethyl)-1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-amine
CID 114832472

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine (CID 81493286) is N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine is CC(c1cccc(F)c1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine?
The InChIKey is JZGQFAGVEMILPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-13(15-3-2-4-16(18)11-15)20-9-7-17(8-10-20)19-12-14-5-6-14/h2-4,11,13-14,17,19H,5-10,12H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine?
N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine has a molecular weight of 276.40 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[1-(3-fluorophenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 81493286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).