2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride

C16H25ClN2O2 — CID 120668182

IUPAC2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
SMILESCc1ccc(C(N)C(=O)N2CCC(C(C)O)CC2)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-11-3-5-14(6-4-11)15(17)16(20)18-9-7-13(8-10-18)12(2)19;/h3-6,12-13,15,19H,7-10,17H2,1-2H3;1H
InChIKeySOKBTHCCEYJVQT-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.04
Rot. Bonds3

About 2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride

2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride (PubChem CID 120668182) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
PubChem CID120668182
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
SMILESCc1ccc(C(N)C(=O)N2CCC(C(C)O)CC2)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-11-3-5-14(6-4-11)15(17)16(20)18-9-7-13(8-10-18)12(2)19;/h3-6,12-13,15,19H,7-10,17H2,1-2H3;1H
InChIKeySOKBTHCCEYJVQT-UHFFFAOYSA-N
XLogP2.04
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 106151455
2-amino-1-(4-ethenylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668435
2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029
2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 106312840
2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668250
4-[2-amino-2-(4-methylphenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide
CID 120667255
2-amino-1-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 120668374
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668146
2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 122080822
2-amino-2-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 120666722
1-(4-acetyl-1,4-diazepan-1-yl)-2-amino-2-(4-methylphenyl)ethanone
CID 106151021
1-[1-[2-amino-1-(4-methylphenyl)propyl]piperidin-4-yl]ethanol
CID 106835504

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride (CID 120668182) is 2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride is Cc1ccc(C(N)C(=O)N2CCC(C(C)O)CC2)cc1.Cl.
What is the InChIKey of 2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride?
The InChIKey is SOKBTHCCEYJVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-11-3-5-14(6-4-11)15(17)16(20)18-9-7-13(8-10-18)12(2)19;/h3-6,12-13,15,19H,7-10,17H2,1-2H3;1H.
What are the key properties of 2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride?
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride is sourced from PubChem (CID 120668182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).