1-[(4-fluorophenyl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol

C16H25FN2O — CID 110904890

IUPAC1-[(4-fluorophenyl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)CNCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H25FN2O/c1-13-6-8-19(9-7-13)12-16(20)11-18-10-14-2-4-15(17)5-3-14/h2-5,13,16,18,20H,6-12H2,1H3
InChIKeyMGGYDTLXKGQZMQ-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.01
Rot. Bonds6

About 1-[(4-fluorophenyl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol

1-[(4-fluorophenyl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 110904890) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID110904890
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[(4-fluorophenyl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)CNCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H25FN2O/c1-13-6-8-19(9-7-13)12-16(20)11-18-10-14-2-4-15(17)5-3-14/h2-5,13,16,18,20H,6-12H2,1H3
InChIKeyMGGYDTLXKGQZMQ-UHFFFAOYSA-N
XLogP2.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((phenylmethyl)amino)methyl)-
CID 3072702
1-(4-Fluorobenzyl)-4-(2-Hydroxyethyl)Piperazine
CID 693807
3-(Benzylamino)-1,1,1-trifluoropropan-2-ol
CID 3787794
3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 54765676
2-[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]ethanol
CID 134468924
1,3-Bis(((3-(aminomethyl)phenyl)methyl)amino)propan-2-ol
CID 3021167
(4-Benzylmorpholin-2-yl)methanamine
CID 2776360
1-(Benzylamino)propan-2-ol
CID 97731
2-{[(4-Fluorophenyl)methyl]amino}ethan-1-ol
CID 3614545
N-[(2-Fluorophenyl)methyl]-4-morpholineethanamine
CID 2772118
2-[Benzyl(2-fluorobenzyl)amino]ethanol
CID 783283
2-[(3-Fluorophenyl)methyl-(phenylmethyl)amino]ethanol
CID 783344

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-[(4-fluorophenyl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 110904890) is 1-[(4-fluorophenyl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol is CC1CCN(CC(O)CNCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is MGGYDTLXKGQZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-13-6-8-19(9-7-13)12-16(20)11-18-10-14-2-4-15(17)5-3-14/h2-5,13,16,18,20H,6-12H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
1-[(4-fluorophenyl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 280.39 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 110904890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).