1-[3-[(3-fluoro-4-methylphenyl)methylamino]propyl]piperidin-4-ol

C16H25FN2O — CID 111423520

IUPAC1-[3-[(3-fluoro-4-methylphenyl)methylamino]propyl]piperidin-4-ol
SMILESCc1ccc(CNCCCN2CCC(O)CC2)cc1F
InChIInChI=1S/C16H25FN2O/c1-13-3-4-14(11-16(13)17)12-18-7-2-8-19-9-5-15(20)6-10-19/h3-4,11,15,18,20H,2,5-10,12H2,1H3
InChIKeyUVMSQXTWWOLNQR-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.07
Rot. Bonds6

About 1-[3-[(3-fluoro-4-methylphenyl)methylamino]propyl]piperidin-4-ol

1-[3-[(3-fluoro-4-methylphenyl)methylamino]propyl]piperidin-4-ol (PubChem CID 111423520) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[3-[(3-fluoro-4-methylphenyl)methylamino]propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[(3-fluoro-4-methylphenyl)methylamino]propyl]piperidin-4-ol
PubChem CID111423520
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[3-[(3-fluoro-4-methylphenyl)methylamino]propyl]piperidin-4-ol
SMILESCc1ccc(CNCCCN2CCC(O)CC2)cc1F
InChIInChI=1S/C16H25FN2O/c1-13-3-4-14(11-16(13)17)12-18-7-2-8-19-9-5-15(20)6-10-19/h3-4,11,15,18,20H,2,5-10,12H2,1H3
InChIKeyUVMSQXTWWOLNQR-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(4-ethylphenyl)methylamino]propyl]piperidin-4-ol
CID 110906462
1-[3-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]propyl]piperidin-4-ol
CID 111466454
1-[3-[(5-bromo-2-fluorophenyl)methylamino]propyl]piperidin-4-ol
CID 110906464
2,6-difluoro-4-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]phenol
CID 79832437
(3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol
CID 103883025
1-[3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propyl]piperidin-4-ol
CID 111423505
N-[(3-fluoro-4-methylphenyl)methyl]-1-(5-hydroxypentyl)piperidine-4-carboxamide
CID 110923817
1-[3-[(4-chloro-3-nitrophenyl)methylamino]propyl]piperidin-4-ol
CID 110929379
1-[3-[(3-pyridin-4-ylphenyl)methylamino]propyl]piperidin-4-ol
CID 111478246
N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 28672164
N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679808
2-fluoro-5-[[9-[4-[1-[9-[(4-fluoro-3-hydroxyphenyl)methylamino]nonyl]piperidin-4-yl]oxypiperidin-1-yl]nonylamino]methyl]phenol
CID 142786472

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-fluoro-4-methylphenyl)methylamino]propyl]piperidin-4-ol?
The IUPAC name of 1-[3-[(3-fluoro-4-methylphenyl)methylamino]propyl]piperidin-4-ol (CID 111423520) is 1-[3-[(3-fluoro-4-methylphenyl)methylamino]propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[(3-fluoro-4-methylphenyl)methylamino]propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[(3-fluoro-4-methylphenyl)methylamino]propyl]piperidin-4-ol is Cc1ccc(CNCCCN2CCC(O)CC2)cc1F.
What is the InChIKey of 1-[3-[(3-fluoro-4-methylphenyl)methylamino]propyl]piperidin-4-ol?
The InChIKey is UVMSQXTWWOLNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-13-3-4-14(11-16(13)17)12-18-7-2-8-19-9-5-15(20)6-10-19/h3-4,11,15,18,20H,2,5-10,12H2,1H3.
What are the key properties of 1-[3-[(3-fluoro-4-methylphenyl)methylamino]propyl]piperidin-4-ol?
1-[3-[(3-fluoro-4-methylphenyl)methylamino]propyl]piperidin-4-ol has a molecular weight of 280.39 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-fluoro-4-methylphenyl)methylamino]propyl]piperidin-4-ol is sourced from PubChem (CID 111423520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).