N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine

C16H25FN2 — CID 81368219

IUPACN-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
SMILESCC1CN(C)C(C)CC1N[C@H](C)c1cccc(F)c1
InChIInChI=1S/C16H25FN2/c1-11-10-19(4)12(2)8-16(11)18-13(3)14-6-5-7-15(17)9-14/h5-7,9,11-13,16,18H,8,10H2,1-4H3/t11?,12?,13-,16?/m1/s1
InChIKeyISHYVPWWBYOMDL-HTVNSPLZSA-N
MW264.39 g/mol
LogP3.20
Rot. Bonds3

About N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine

N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine (PubChem CID 81368219) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
PubChem CID81368219
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
SMILESCC1CN(C)C(C)CC1N[C@H](C)c1cccc(F)c1
InChIInChI=1S/C16H25FN2/c1-11-10-19(4)12(2)8-16(11)18-13(3)14-6-5-7-15(17)9-14/h5-7,9,11-13,16,18H,8,10H2,1-4H3/t11?,12?,13-,16?/m1/s1
InChIKeyISHYVPWWBYOMDL-HTVNSPLZSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81467258
N-[1-(3-fluorophenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 81300776
1,2,5-trimethyl-N-[(1R)-1-pyridin-3-ylethyl]piperidin-4-amine
CID 81407226
N-[1-(4-ethylphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 43684158
N-(3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665401
N-[(1S)-1-(3-fluorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81365854
(2R,4R,5R)-1,2,5-trimethyl-N-propan-2-ylpiperidin-4-amine
CID 93258428
cyclopropyl-[(3S,4R)-4-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-3-methylpiperidin-1-yl]methanone
CID 96513320
N-[(1S)-1-(3-fluorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81365167
N-[1-(3-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335511
N-[1-(3-fluorophenyl)ethyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43078452
N-[1-(2-methoxyphenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine
CID 43665452

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine?
The IUPAC name of N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine (CID 81368219) is N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine is CC1CN(C)C(C)CC1N[C@H](C)c1cccc(F)c1.
What is the InChIKey of N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine?
The InChIKey is ISHYVPWWBYOMDL-HTVNSPLZSA-N. The full InChI is InChI=1S/C16H25FN2/c1-11-10-19(4)12(2)8-16(11)18-13(3)14-6-5-7-15(17)9-14/h5-7,9,11-13,16,18H,8,10H2,1-4H3/t11?,12?,13-,16?/m1/s1.
What are the key properties of N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine?
N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine has a molecular weight of 264.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-fluorophenyl)ethyl]-1,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 81368219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).