1-[3-chloro-4-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-3-ol

C15H23ClN2O — CID 102958882

IUPAC1-[3-chloro-4-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
SMILESCNC(C)c1ccc(N2CCC(C)C(O)C2)cc1Cl
InChIInChI=1S/C15H23ClN2O/c1-10-6-7-18(9-15(10)19)12-4-5-13(11(2)17-3)14(16)8-12/h4-5,8,10-11,15,17,19H,6-7,9H2,1-3H3
InChIKeyRMHOSSKPGOBWIY-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.83
Rot. Bonds3

About 1-[3-chloro-4-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-3-ol

1-[3-chloro-4-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-3-ol (PubChem CID 102958882) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-[3-chloro-4-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[3-chloro-4-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
PubChem CID102958882
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-[3-chloro-4-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
SMILESCNC(C)c1ccc(N2CCC(C)C(O)C2)cc1Cl
InChIInChI=1S/C15H23ClN2O/c1-10-6-7-18(9-15(10)19)12-4-5-13(11(2)17-3)14(16)8-12/h4-5,8,10-11,15,17,19H,6-7,9H2,1-3H3
InChIKeyRMHOSSKPGOBWIY-UHFFFAOYSA-N
XLogP2.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine
CID 102958940
1-[2-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]-N-methylethanamine
CID 102744251
2-[1-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 114798135
[1-[3-chloro-4-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]methanol
CID 115965439
2-[1-(methylamino)ethyl]-5-(4-propan-2-ylpiperidin-1-yl)phenol
CID 103496849
5-[4-(1-hydroxyethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
CID 106836255
4-[3-chloro-4-[1-(methylamino)ethyl]phenyl]-1,4-diazepan-2-one
CID 65361647
5-[4-(dimethylamino)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
CID 79600608
1-[2-chloro-4-[1-(propylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
CID 102958837
5-[4-(hydroxymethyl)piperidin-1-yl]-2-[1-(methylamino)ethyl]phenol
CID 79600236
1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine
CID 60860458
1-[2-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine
CID 104959054

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[3-chloro-4-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-3-ol (CID 102958882) is 1-[3-chloro-4-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[3-chloro-4-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[3-chloro-4-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-3-ol is CNC(C)c1ccc(N2CCC(C)C(O)C2)cc1Cl.
What is the InChIKey of 1-[3-chloro-4-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-3-ol?
The InChIKey is RMHOSSKPGOBWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-10-6-7-18(9-15(10)19)12-4-5-13(11(2)17-3)14(16)8-12/h4-5,8,10-11,15,17,19H,6-7,9H2,1-3H3.
What are the key properties of 1-[3-chloro-4-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-3-ol?
1-[3-chloro-4-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-3-ol has a molecular weight of 282.81 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102958882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).