1-[3-(3-chlorophenyl)-3-(methylamino)propyl]piperidin-3-ol

C15H23ClN2O — CID 55098461

IUPAC1-[3-(3-chlorophenyl)-3-(methylamino)propyl]piperidin-3-ol
SMILESCNC(CCN1CCCC(O)C1)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-17-15(12-4-2-5-13(16)10-12)7-9-18-8-3-6-14(19)11-18/h2,4-5,10,14-15,17,19H,3,6-9,11H2,1H3
InChIKeyYXHIWZWWWVEKLN-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.45
Rot. Bonds5

About 1-[3-(3-chlorophenyl)-3-(methylamino)propyl]piperidin-3-ol

1-[3-(3-chlorophenyl)-3-(methylamino)propyl]piperidin-3-ol (PubChem CID 55098461) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-[3-(3-chlorophenyl)-3-(methylamino)propyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[3-(3-chlorophenyl)-3-(methylamino)propyl]piperidin-3-ol
PubChem CID55098461
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-[3-(3-chlorophenyl)-3-(methylamino)propyl]piperidin-3-ol
SMILESCNC(CCN1CCCC(O)C1)c1cccc(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-17-15(12-4-2-5-13(16)10-12)7-9-18-8-3-6-14(19)11-18/h2,4-5,10,14-15,17,19H,3,6-9,11H2,1H3
InChIKeyYXHIWZWWWVEKLN-UHFFFAOYSA-N
XLogP2.45
TPSA35.50 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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-bromophenyl)-3-(methylamino)propyl]piperidin-3-ol
CID 62618608
1-[3-(3-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-ol
CID 62943222
1-(3-chlorophenyl)-3-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylpropan-1-amine
CID 64582381
1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
CID 62941193
1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol
CID 110908224
1-[3-(3-bromophenyl)-3-(methylamino)propyl]piperidin-4-ol
CID 62614162
1-(3-bromophenyl)-3-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine
CID 102967425
1-[3-amino-3-(3-methylphenyl)propyl]piperidin-3-ol
CID 62623074
1-(3-chlorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol
CID 102967577
1-(3-fluorophenyl)-N-methyl-3-(4-methylazepan-1-yl)propan-1-amine
CID 63624690
1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol
CID 55094317
1-(3-chlorophenyl)-3-(3-methylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 62628581

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenyl)-3-(methylamino)propyl]piperidin-3-ol?
The IUPAC name of 1-[3-(3-chlorophenyl)-3-(methylamino)propyl]piperidin-3-ol (CID 55098461) is 1-[3-(3-chlorophenyl)-3-(methylamino)propyl]piperidin-3-ol.
What is the SMILES notation for 1-[3-(3-chlorophenyl)-3-(methylamino)propyl]piperidin-3-ol?
The canonical SMILES for 1-[3-(3-chlorophenyl)-3-(methylamino)propyl]piperidin-3-ol is CNC(CCN1CCCC(O)C1)c1cccc(Cl)c1.
What is the InChIKey of 1-[3-(3-chlorophenyl)-3-(methylamino)propyl]piperidin-3-ol?
The InChIKey is YXHIWZWWWVEKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-17-15(12-4-2-5-13(16)10-12)7-9-18-8-3-6-14(19)11-18/h2,4-5,10,14-15,17,19H,3,6-9,11H2,1H3.
What are the key properties of 1-[3-(3-chlorophenyl)-3-(methylamino)propyl]piperidin-3-ol?
1-[3-(3-chlorophenyl)-3-(methylamino)propyl]piperidin-3-ol has a molecular weight of 282.81 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenyl)-3-(methylamino)propyl]piperidin-3-ol is sourced from PubChem (CID 55098461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).