2-amino-2-phenyl-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride

C17H27ClN2O — CID 120593588

IUPAC2-amino-2-phenyl-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride
SMILESCCCC1CCCN(C(=O)C(C)(N)c2ccccc2)C1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-3-8-14-9-7-12-19(13-14)16(20)17(2,18)15-10-5-4-6-11-15;/h4-6,10-11,14H,3,7-9,12-13,18H2,1-2H3;1H
InChIKeyCNGOPQOYLGWSLT-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.32
Rot. Bonds4

About 2-amino-2-phenyl-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride

2-amino-2-phenyl-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride (PubChem CID 120593588) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 2-amino-2-phenyl-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-2-phenyl-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride
PubChem CID120593588
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name2-amino-2-phenyl-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride
SMILESCCCC1CCCN(C(=O)C(C)(N)c2ccccc2)C1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-3-8-14-9-7-12-19(13-14)16(20)17(2,18)15-10-5-4-6-11-15;/h4-6,10-11,14H,3,7-9,12-13,18H2,1-2H3;1H
InChIKeyCNGOPQOYLGWSLT-UHFFFAOYSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 62488931
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 106586749
1-(2-amino-2-phenylpropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 120591036
2-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride
CID 120591759
2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one
CID 102957634
2-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120588428
2-amino-1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 122080668
2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 120593719
1-(2-amino-2-phenylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 103195275
2-amino-2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 120588873
2-amino-1-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-2-phenylpropan-1-one;hydrochloride
CID 120592459
1-(2-amino-2-phenylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63031396

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 2-amino-2-phenyl-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride (CID 120593588) is 2-amino-2-phenyl-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-2-phenyl-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 2-amino-2-phenyl-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride is CCCC1CCCN(C(=O)C(C)(N)c2ccccc2)C1.Cl.
What is the InChIKey of 2-amino-2-phenyl-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride?
The InChIKey is CNGOPQOYLGWSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-3-8-14-9-7-12-19(13-14)16(20)17(2,18)15-10-5-4-6-11-15;/h4-6,10-11,14H,3,7-9,12-13,18H2,1-2H3;1H.
What are the key properties of 2-amino-2-phenyl-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride?
2-amino-2-phenyl-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 120593588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).