[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methanol

C14H21BrN2O — CID 55022489

IUPAC[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methanol
SMILESNCC(c1ccccc1Br)N1CCC(CO)CC1
InChIInChI=1S/C14H21BrN2O/c15-13-4-2-1-3-12(13)14(9-16)17-7-5-11(10-18)6-8-17/h1-4,11,14,18H,5-10,16H2
InChIKeyLHIYLZYBDXJNTF-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.15
Rot. Bonds4

About [1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methanol

[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methanol (PubChem CID 55022489) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is [1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methanol
PubChem CID55022489
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methanol
SMILESNCC(c1ccccc1Br)N1CCC(CO)CC1
InChIInChI=1S/C14H21BrN2O/c15-13-4-2-1-3-12(13)14(9-16)17-7-5-11(10-18)6-8-17/h1-4,11,14,18H,5-10,16H2
InChIKeyLHIYLZYBDXJNTF-UHFFFAOYSA-N
XLogP2.15
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze [1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methyl]acetamide
CID 102736044
2-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanamine
CID 62133000
[1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]methanol
CID 112624382
[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]methanol
CID 112624337
1-[2-amino-1-(2-bromophenyl)ethyl]-3-methylpyrrolidin-3-ol
CID 103355424
tert-butyl 4-[2-amino-1-(2-bromophenyl)ethyl]piperazine-1-carboxylate
CID 104933462
4-[2-amino-1-(2-bromophenyl)ethyl]piperazine-2,6-dione
CID 66084652
2-(2-bromophenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562548
2-(4-ethylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanamine
CID 61420799
[1-[2-amino-1-(2-methoxyphenyl)ethyl]piperidin-3-yl]methanol
CID 55022224
(2S)-2-(2-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 51656542
2-(2-bromophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine
CID 24693860

Frequently Asked Questions

What is the IUPAC name of [1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methanol (CID 55022489) is [1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methanol is NCC(c1ccccc1Br)N1CCC(CO)CC1.
What is the InChIKey of [1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methanol?
The InChIKey is LHIYLZYBDXJNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c15-13-4-2-1-3-12(13)14(9-16)17-7-5-11(10-18)6-8-17/h1-4,11,14,18H,5-10,16H2.
What are the key properties of [1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methanol?
[1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methanol has a molecular weight of 313.24 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-amino-1-(2-bromophenyl)ethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 55022489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).