1-[2-amino-1-(4-chlorophenyl)propyl]-4-methylpiperidin-3-ol

C15H23ClN2O — CID 102955977

IUPAC1-[2-amino-1-(4-chlorophenyl)propyl]-4-methylpiperidin-3-ol
SMILESCC(N)C(c1ccc(Cl)cc1)N1CCC(C)C(O)C1
InChIInChI=1S/C15H23ClN2O/c1-10-7-8-18(9-14(10)19)15(11(2)17)12-3-5-13(16)6-4-12/h3-6,10-11,14-15,19H,7-9,17H2,1-2H3
InChIKeyCPRFIHJEZVQYII-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.43
Rot. Bonds3

About 1-[2-amino-1-(4-chlorophenyl)propyl]-4-methylpiperidin-3-ol

1-[2-amino-1-(4-chlorophenyl)propyl]-4-methylpiperidin-3-ol (PubChem CID 102955977) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-[2-amino-1-(4-chlorophenyl)propyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[2-amino-1-(4-chlorophenyl)propyl]-4-methylpiperidin-3-ol
PubChem CID102955977
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-[2-amino-1-(4-chlorophenyl)propyl]-4-methylpiperidin-3-ol
SMILESCC(N)C(c1ccc(Cl)cc1)N1CCC(C)C(O)C1
InChIInChI=1S/C15H23ClN2O/c1-10-7-8-18(9-14(10)19)15(11(2)17)12-3-5-13(16)6-4-12/h3-6,10-11,14-15,19H,7-9,17H2,1-2H3
InChIKeyCPRFIHJEZVQYII-UHFFFAOYSA-N
XLogP2.43
TPSA49.49 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 ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-1-(4-chlorophenyl)propyl]pyrrolidin-3-ol
CID 62942234
1-[2-amino-1-(3-methoxyphenyl)propyl]-4-methylpiperidin-3-ol
CID 102956038
1-(4-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
CID 55015385
1-[2-amino-1-(2-methoxyphenyl)propyl]-4-methylpiperidin-3-ol
CID 102956086
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-2-amine
CID 79916023
1-[2-amino-1-(4-fluorophenyl)propyl]piperidin-3-ol
CID 55016863
1-(2-amino-1-phenylpropyl)piperidin-3-ol
CID 55017645
7-[2-amino-1-(4-chlorophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095701
1-(4-butan-2-ylpiperazin-1-yl)-1-(4-chlorophenyl)propan-2-amine
CID 62774780
1-[2-amino-1-(3-chlorophenyl)ethyl]-4-methylpiperidin-3-ol
CID 102956061
1-(4-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)propan-2-amine
CID 62330116
1-(4-chlorophenyl)-1-(3,4-dimethylpyrrolidin-1-yl)butan-2-amine
CID 79182425

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(4-chlorophenyl)propyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[2-amino-1-(4-chlorophenyl)propyl]-4-methylpiperidin-3-ol (CID 102955977) is 1-[2-amino-1-(4-chlorophenyl)propyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[2-amino-1-(4-chlorophenyl)propyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[2-amino-1-(4-chlorophenyl)propyl]-4-methylpiperidin-3-ol is CC(N)C(c1ccc(Cl)cc1)N1CCC(C)C(O)C1.
What is the InChIKey of 1-[2-amino-1-(4-chlorophenyl)propyl]-4-methylpiperidin-3-ol?
The InChIKey is CPRFIHJEZVQYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-10-7-8-18(9-14(10)19)15(11(2)17)12-3-5-13(16)6-4-12/h3-6,10-11,14-15,19H,7-9,17H2,1-2H3.
What are the key properties of 1-[2-amino-1-(4-chlorophenyl)propyl]-4-methylpiperidin-3-ol?
1-[2-amino-1-(4-chlorophenyl)propyl]-4-methylpiperidin-3-ol has a molecular weight of 282.81 g/mol, XLogP of 2.43, 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-chlorophenyl)propyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102955977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).