(1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine

C15H23FN2 — CID 81365320

IUPAC(1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
SMILESC[C@H](NCC1CCN(C)CC1)c1cccc(F)c1
InChIInChI=1S/C15H23FN2/c1-12(14-4-3-5-15(16)10-14)17-11-13-6-8-18(2)9-7-13/h3-5,10,12-13,17H,6-9,11H2,1-2H3/t12-/m0/s1
InChIKeyKJOGUYXUWYMXMI-LBPRGKRZSA-N
MW250.36 g/mol
LogP2.82
Rot. Bonds4

About (1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine

(1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine (PubChem CID 81365320) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is (1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
PubChem CID81365320
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name(1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
SMILESC[C@H](NCC1CCN(C)CC1)c1cccc(F)c1
InChIInChI=1S/C15H23FN2/c1-12(14-4-3-5-15(16)10-14)17-11-13-6-8-18(2)9-7-13/h3-5,10,12-13,17H,6-9,11H2,1-2H3/t12-/m0/s1
InChIKeyKJOGUYXUWYMXMI-LBPRGKRZSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81369388
(1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 81364808
1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386409
1-(4-fluoro-3-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 82993850
(1R)-1-(2-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81379999
5-[[1-(3-fluorophenyl)ethylamino]methyl]pyrrolidin-2-one
CID 60726591
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81364899
1-(3-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanol
CID 114515612
1-(3-fluorophenyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 79610680
(1S)-1-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106638924
N-[[1-[1-(3-fluorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512457
N-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81365357

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine (CID 81365320) is (1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine is C[C@H](NCC1CCN(C)CC1)c1cccc(F)c1.
What is the InChIKey of (1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
The InChIKey is KJOGUYXUWYMXMI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23FN2/c1-12(14-4-3-5-15(16)10-14)17-11-13-6-8-18(2)9-7-13/h3-5,10,12-13,17H,6-9,11H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine?
(1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine has a molecular weight of 250.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 81365320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).