(2R)-1-amino-3-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]propan-2-ol

C15H22Cl2N2O2 — CID 59296026

IUPAC(2R)-1-amino-3-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]propan-2-ol
SMILESCc1c(Cl)ccc(OC2CCN(C[C@H](O)CN)CC2)c1Cl
InChIInChI=1S/C15H22Cl2N2O2/c1-10-13(16)2-3-14(15(10)17)21-12-4-6-19(7-5-12)9-11(20)8-18/h2-3,11-12,20H,4-9,18H2,1H3/t11-/m1/s1
InChIKeyJQJBASXGMVIIBY-LLVKDONJSA-N
MW333.26 g/mol
LogP2.46
Rot. Bonds5

About (2R)-1-amino-3-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]propan-2-ol

(2R)-1-amino-3-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]propan-2-ol (PubChem CID 59296026) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is (2R)-1-amino-3-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-amino-3-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]propan-2-ol
PubChem CID59296026
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name(2R)-1-amino-3-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]propan-2-ol
SMILESCc1c(Cl)ccc(OC2CCN(C[C@H](O)CN)CC2)c1Cl
InChIInChI=1S/C15H22Cl2N2O2/c1-10-13(16)2-3-14(15(10)17)21-12-4-6-19(7-5-12)9-11(20)8-18/h2-3,11-12,20H,4-9,18H2,1H3/t11-/m1/s1
InChIKeyJQJBASXGMVIIBY-LLVKDONJSA-N
XLogP2.46
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-amino-3-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]propan-2-ol 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

6-[1-[(2S)-3-amino-2-hydroxypropyl]piperidin-4-yl]oxy-2,3-dichlorobenzenesulfonamide
CID 68580152
N-[3-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 91504567
N-[(2S)-3-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]-2-hydroxypropyl]-N-methyl-2-oxo-4-(trifluoromethyl)-3H-1,3-thiazole-5-carboxamide
CID 11156984
1-[4-(3-chloro-4-methyl-2-sulfanylphenoxy)piperidin-1-yl]-3-(methylamino)propan-2-ol
CID 142274534
N-[(2R)-3-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]-2-hydroxypropyl]-6-methylsulfonyl-1-oxo-2H-isoquinoline-4-carboxamide
CID 59295928
2-chloro-5-[[(2R)-3-[4-(3,4-dichloro-2-methylphenoxy)piperidin-1-yl]-2-hydroxypropyl]carbamoyl]benzoic acid
CID 11226087
2-[4-[[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-2-(2-methylphenyl)acetic acid
CID 69348039
1-amino-3-(4-benzhydryloxypiperidin-1-yl)propan-2-ol
CID 22989280
tert-butyl 3-[4-[[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]methyl]piperidin-1-yl]benzoate
CID 69260707
tert-butyl 2-chloro-5-[[(2R)-3-[4-(3,4-dichloro-2-methylphenoxy)piperidin-1-yl]-2-hydroxypropyl]carbamoyl]benzoate;2-chloro-5-[[(2R)-3-[4-(3,4-dichloro-2-methylphenoxy)piperidin-1-yl]-2-hydroxypropyl]carbamoyl]benzoic acid
CID 87922623
N-[(2R)-3-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]-2-methylpropyl]-6-methylsulfinyl-1-oxo-2H-isoquinoline-4-carboxamide
CID 157265546
4-[[4-(3,4-dichloro-2-methylphenoxy)piperidin-1-yl]methyl]piperidine-1-carboxylic acid
CID 141166993

Frequently Asked Questions

What is the IUPAC name of (2R)-1-amino-3-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-amino-3-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]propan-2-ol (CID 59296026) is (2R)-1-amino-3-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-amino-3-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-amino-3-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]propan-2-ol is Cc1c(Cl)ccc(OC2CCN(C[C@H](O)CN)CC2)c1Cl.
What is the InChIKey of (2R)-1-amino-3-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]propan-2-ol?
The InChIKey is JQJBASXGMVIIBY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2/c1-10-13(16)2-3-14(15(10)17)21-12-4-6-19(7-5-12)9-11(20)8-18/h2-3,11-12,20H,4-9,18H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-1-amino-3-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]propan-2-ol?
(2R)-1-amino-3-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]propan-2-ol has a molecular weight of 333.26 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-amino-3-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 59296026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).