1-[2-amino-1-(4-fluorophenyl)propyl]piperidin-3-ol

C14H21FN2O — CID 55016863

IUPAC1-[2-amino-1-(4-fluorophenyl)propyl]piperidin-3-ol
SMILESCC(N)C(c1ccc(F)cc1)N1CCCC(O)C1
InChIInChI=1S/C14H21FN2O/c1-10(16)14(11-4-6-12(15)7-5-11)17-8-2-3-13(18)9-17/h4-7,10,13-14,18H,2-3,8-9,16H2,1H3
InChIKeyCDZVKIXCDSPZMU-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.67
Rot. Bonds3

About 1-[2-amino-1-(4-fluorophenyl)propyl]piperidin-3-ol

1-[2-amino-1-(4-fluorophenyl)propyl]piperidin-3-ol (PubChem CID 55016863) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[2-amino-1-(4-fluorophenyl)propyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-amino-1-(4-fluorophenyl)propyl]piperidin-3-ol
PubChem CID55016863
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[2-amino-1-(4-fluorophenyl)propyl]piperidin-3-ol
SMILESCC(N)C(c1ccc(F)cc1)N1CCCC(O)C1
InChIInChI=1S/C14H21FN2O/c1-10(16)14(11-4-6-12(15)7-5-11)17-8-2-3-13(18)9-17/h4-7,10,13-14,18H,2-3,8-9,16H2,1H3
InChIKeyCDZVKIXCDSPZMU-UHFFFAOYSA-N
XLogP1.67
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-1-phenylpropyl)piperidin-3-ol
CID 55017645
1-[2-amino-1-(4-chlorophenyl)propyl]pyrrolidin-3-ol
CID 62942234
(3S)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-ol
CID 126787911
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-fluorophenyl)propan-2-amine
CID 79919024
1-[2-amino-1-(4-bromophenyl)butyl]piperidin-3-ol
CID 55016025
1-(4-fluorophenyl)-1-(4-methyl-1,4-diazepan-1-yl)propan-2-amine
CID 55016999
1-[1-(2,5-difluorophenyl)ethyl]piperidin-3-ol
CID 110900453
1-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-fluorophenyl)propan-2-amine
CID 63603808
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 110884135
1-[2-amino-1-(4-chlorophenyl)propyl]-4-methylpiperidin-3-ol
CID 102955977
1-(2,4-difluorophenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 62037746
fluoromethane;1-propan-2-ylpiperidin-3-ol
CID 176976990

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(4-fluorophenyl)propyl]piperidin-3-ol?
The IUPAC name of 1-[2-amino-1-(4-fluorophenyl)propyl]piperidin-3-ol (CID 55016863) is 1-[2-amino-1-(4-fluorophenyl)propyl]piperidin-3-ol.
What is the SMILES notation for 1-[2-amino-1-(4-fluorophenyl)propyl]piperidin-3-ol?
The canonical SMILES for 1-[2-amino-1-(4-fluorophenyl)propyl]piperidin-3-ol is CC(N)C(c1ccc(F)cc1)N1CCCC(O)C1.
What is the InChIKey of 1-[2-amino-1-(4-fluorophenyl)propyl]piperidin-3-ol?
The InChIKey is CDZVKIXCDSPZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(16)14(11-4-6-12(15)7-5-11)17-8-2-3-13(18)9-17/h4-7,10,13-14,18H,2-3,8-9,16H2,1H3.
What are the key properties of 1-[2-amino-1-(4-fluorophenyl)propyl]piperidin-3-ol?
1-[2-amino-1-(4-fluorophenyl)propyl]piperidin-3-ol has a molecular weight of 252.33 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(4-fluorophenyl)propyl]piperidin-3-ol is sourced from PubChem (CID 55016863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).