1-[2-amino-1-(4-bromophenyl)ethyl]-4-methylpiperidin-3-ol

C14H21BrN2O — CID 102956112

IUPAC1-[2-amino-1-(4-bromophenyl)ethyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(C(CN)c2ccc(Br)cc2)CC1O
InChIInChI=1S/C14H21BrN2O/c1-10-6-7-17(9-14(10)18)13(8-16)11-2-4-12(15)5-3-11/h2-5,10,13-14,18H,6-9,16H2,1H3
InChIKeyITBFAYKJDHVYAB-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.15
Rot. Bonds3

About 1-[2-amino-1-(4-bromophenyl)ethyl]-4-methylpiperidin-3-ol

1-[2-amino-1-(4-bromophenyl)ethyl]-4-methylpiperidin-3-ol (PubChem CID 102956112) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-[2-amino-1-(4-bromophenyl)ethyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[2-amino-1-(4-bromophenyl)ethyl]-4-methylpiperidin-3-ol
PubChem CID102956112
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name1-[2-amino-1-(4-bromophenyl)ethyl]-4-methylpiperidin-3-ol
SMILESCC1CCN(C(CN)c2ccc(Br)cc2)CC1O
InChIInChI=1S/C14H21BrN2O/c1-10-6-7-17(9-14(10)18)13(8-16)11-2-4-12(15)5-3-11/h2-5,10,13-14,18H,6-9,16H2,1H3
InChIKeyITBFAYKJDHVYAB-UHFFFAOYSA-N
XLogP2.15
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-1-(4-bromophenyl)ethyl]piperidin-3-ol
CID 55015978
1-[2-amino-1-(3-chlorophenyl)ethyl]-4-methylpiperidin-3-ol
CID 102956061
2-(4-bromophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 61421143
1-[2-amino-1-(furan-2-yl)ethyl]-4-methylpiperidin-3-ol
CID 102956003
(2S)-2-(4-bromophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 30072752
2-(4-bromophenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine
CID 54985342
1-[2-amino-1-(4-methylphenyl)ethyl]piperidin-4-ol
CID 55016646
1-(2-amino-1-phenylethyl)pyrrolidin-3-ol
CID 62941324
[4-[2-amino-1-(4-bromophenyl)ethyl]morpholin-2-yl]methanol
CID 81206159
2-[4-(difluoromethyl)phenyl]-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964868
1-[2-amino-1-[4-(dimethylamino)phenyl]ethyl]piperidin-4-ol
CID 82020204
1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166318

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(4-bromophenyl)ethyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[2-amino-1-(4-bromophenyl)ethyl]-4-methylpiperidin-3-ol (CID 102956112) is 1-[2-amino-1-(4-bromophenyl)ethyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[2-amino-1-(4-bromophenyl)ethyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[2-amino-1-(4-bromophenyl)ethyl]-4-methylpiperidin-3-ol is CC1CCN(C(CN)c2ccc(Br)cc2)CC1O.
What is the InChIKey of 1-[2-amino-1-(4-bromophenyl)ethyl]-4-methylpiperidin-3-ol?
The InChIKey is ITBFAYKJDHVYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-10-6-7-17(9-14(10)18)13(8-16)11-2-4-12(15)5-3-11/h2-5,10,13-14,18H,6-9,16H2,1H3.
What are the key properties of 1-[2-amino-1-(4-bromophenyl)ethyl]-4-methylpiperidin-3-ol?
1-[2-amino-1-(4-bromophenyl)ethyl]-4-methylpiperidin-3-ol has a molecular weight of 313.24 g/mol, XLogP of 2.15, 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-bromophenyl)ethyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102956112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).