N-[(1R)-1-(2-fluorophenyl)ethyl]-1-propan-2-ylpiperidin-4-amine

C16H25FN2 — CID 28716756

IUPACN-[(1R)-1-(2-fluorophenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(N[C@H](C)c2ccccc2F)CC1
InChIInChI=1S/C16H25FN2/c1-12(2)19-10-8-14(9-11-19)18-13(3)15-6-4-5-7-16(15)17/h4-7,12-14,18H,8-11H2,1-3H3/t13-/m1/s1
InChIKeySSOFLDSKKIJQGO-CYBMUJFWSA-N
MW264.39 g/mol
LogP3.35
Rot. Bonds4

About N-[(1R)-1-(2-fluorophenyl)ethyl]-1-propan-2-ylpiperidin-4-amine

N-[(1R)-1-(2-fluorophenyl)ethyl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 28716756) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[(1R)-1-(2-fluorophenyl)ethyl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-fluorophenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
PubChem CID28716756
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[(1R)-1-(2-fluorophenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(N[C@H](C)c2ccccc2F)CC1
InChIInChI=1S/C16H25FN2/c1-12(2)19-10-8-14(9-11-19)18-13(3)15-6-4-5-7-16(15)17/h4-7,12-14,18H,8-11H2,1-3H3/t13-/m1/s1
InChIKeySSOFLDSKKIJQGO-CYBMUJFWSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 28652659
N-[1-(2-fluorophenyl)ethyl]cyclooctanamine
CID 43080224
N-[1-(2,6-difluorophenyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65073904
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 43728666
5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
CID 63066713
N-[1-(2-fluorophenyl)ethyl]azepan-4-amine
CID 103981604
1-propan-2-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43182947
N-[1-(2-fluorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448317
1-propan-2-yl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidin-4-amine
CID 43098203
4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine
CID 81380737
tert-butyl 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pyrrolidine-1-carboxylate
CID 103821019
N-[1-(2-fluorophenyl)ethyl]-1,1-dioxothiolan-3-amine
CID 43177596

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-[(1R)-1-(2-fluorophenyl)ethyl]-1-propan-2-ylpiperidin-4-amine (CID 28716756) is N-[(1R)-1-(2-fluorophenyl)ethyl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[(1R)-1-(2-fluorophenyl)ethyl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-[(1R)-1-(2-fluorophenyl)ethyl]-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(N[C@H](C)c2ccccc2F)CC1.
What is the InChIKey of N-[(1R)-1-(2-fluorophenyl)ethyl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is SSOFLDSKKIJQGO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12(2)19-10-8-14(9-11-19)18-13(3)15-6-4-5-7-16(15)17/h4-7,12-14,18H,8-11H2,1-3H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(2-fluorophenyl)ethyl]-1-propan-2-ylpiperidin-4-amine?
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 264.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-fluorophenyl)ethyl]-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 28716756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).