[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

[1-[3-amino-3-(2-fluorophenyl)propyl]piperidin-4-yl]methanol
CID 62644418
1-[3-amino-3-(4-chlorophenyl)propyl]-N,N-dimethylpyrrolidin-3-amine
CID 55159528
1-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)propan-1-amine
CID 62644602
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-chlorophenyl)propan-1-amine
CID 115561907
1-(4-chlorophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-amine
CID 79184683
3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)propan-1-amine
CID 113229549
3-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62643869
2-[1-[3-amino-3-(4-bromophenyl)propyl]pyrrolidin-3-yl]ethanol
CID 114800186
1-(4-bromophenyl)-3-(4-propylpiperidin-1-yl)propan-1-amine
CID 62619615
1-(3-chlorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 63972223
3-amino-3-(4-chlorophenyl)propan-1-ol
CID 17039435
2-[1-[3-amino-3-(4-fluorophenyl)propyl]piperidin-4-yl]oxyethanol
CID 82685405

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).