[1-[3-amino-3-(4-chlorophenyl)propyl]piperidin-4-yl]methanol

C15H23ClN2O — CID 62643895

IUPAC[1-[3-amino-3-(4-chlorophenyl)propyl]piperidin-4-yl]methanol
SMILESNC(CCN1CCC(CO)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c16-14-3-1-13(2-4-14)15(17)7-10-18-8-5-12(11-19)6-9-18/h1-4,12,15,19H,5-11,17H2
InChIKeyQAGZNGSAIBCONV-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.43
Rot. Bonds5

About [1-[3-amino-3-(4-chlorophenyl)propyl]piperidin-4-yl]methanol

[1-[3-amino-3-(4-chlorophenyl)propyl]piperidin-4-yl]methanol (PubChem CID 62643895) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is [1-[3-amino-3-(4-chlorophenyl)propyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-amino-3-(4-chlorophenyl)propyl]piperidin-4-yl]methanol
PubChem CID62643895
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name[1-[3-amino-3-(4-chlorophenyl)propyl]piperidin-4-yl]methanol
SMILESNC(CCN1CCC(CO)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O/c16-14-3-1-13(2-4-14)15(17)7-10-18-8-5-12(11-19)6-9-18/h1-4,12,15,19H,5-11,17H2
InChIKeyQAGZNGSAIBCONV-UHFFFAOYSA-N
XLogP2.43
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[1-(3-Chlorophenyl)ethylamino]methyl]piperidin-1-yl]ethanol
CID 53572032
2-[4-[[1-(4-Chlorophenyl)ethylamino]methyl]piperidin-1-yl]ethanol
CID 53572033
2-[4-[[1-(3-Chloro-4-fluorophenyl)ethylamino]methyl]piperidin-1-yl]ethanol
CID 53607141
US11214540, Example 16
CID 142475102
2-(4-Chlorophenyl)-2-(morpholin-4-yl)ethan-1-amine
CID 16461923
1-((4-Chlorophenyl)methyl)piperidin-4-amine
CID 7130833
[(3S,4S)-4-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol
CID 91921213
2-[(4-Chlorobenzyl)amino]-1-butanol
CID 961325
US11214540, Example 42
CID 142475349
1-Piperidineethanol, beta-(p-chlorophenyl)-
CID 202143
1-Propanol, 2-((p-chlorobenzyl)amino)-3-phenyl-
CID 205354
1-[(4-Chlorophenyl)methyl]-3-piperidinol
CID 24904912

Frequently Asked Questions

What is the IUPAC name of [1-[3-amino-3-(4-chlorophenyl)propyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[3-amino-3-(4-chlorophenyl)propyl]piperidin-4-yl]methanol (CID 62643895) is [1-[3-amino-3-(4-chlorophenyl)propyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-amino-3-(4-chlorophenyl)propyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-amino-3-(4-chlorophenyl)propyl]piperidin-4-yl]methanol is NC(CCN1CCC(CO)CC1)c1ccc(Cl)cc1.
What is the InChIKey of [1-[3-amino-3-(4-chlorophenyl)propyl]piperidin-4-yl]methanol?
The InChIKey is QAGZNGSAIBCONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c16-14-3-1-13(2-4-14)15(17)7-10-18-8-5-12(11-19)6-9-18/h1-4,12,15,19H,5-11,17H2.
What are the key properties of [1-[3-amino-3-(4-chlorophenyl)propyl]piperidin-4-yl]methanol?
[1-[3-amino-3-(4-chlorophenyl)propyl]piperidin-4-yl]methanol has a molecular weight of 282.81 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-amino-3-(4-chlorophenyl)propyl]piperidin-4-yl]methanol is sourced from PubChem (CID 62643895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).