3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride

C16H25ClN2O — CID 119775893

IUPAC3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
SMILESCc1ccccc1C1CCN(C(=O)CC(C)N)CC1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12-5-3-4-6-15(12)14-7-9-18(10-8-14)16(19)11-13(2)17;/h3-6,13-14H,7-11,17H2,1-2H3;1H
InChIKeyYOMKJDKZBYRPOE-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.86
Rot. Bonds3

About 3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride

3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride (PubChem CID 119775893) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
PubChem CID119775893
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
SMILESCc1ccccc1C1CCN(C(=O)CC(C)N)CC1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12-5-3-4-6-15(12)14-7-9-18(10-8-14)16(19)11-13(2)17;/h3-6,13-14H,7-11,17H2,1-2H3;1H
InChIKeyYOMKJDKZBYRPOE-UHFFFAOYSA-N
XLogP2.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(4-naphthalen-1-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119760305
3-methyl-1-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
CID 95296201
(2R)-2-amino-1-[3-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119314086
3-amino-1-(4-benzoylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119699766
3-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]butan-1-one
CID 119700717
2-methyl-1-[4-(2-methylphenyl)piperidin-1-yl]hexan-1-one
CID 153400679
3-amino-1-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 120874023
[5-[4-(2-methylphenyl)piperidin-1-yl]-5-oxopentyl]urea
CID 56782456
3-methyl-1-[7-(2-methylphenyl)-1,4-thiazepan-4-yl]pentan-1-one
CID 90631318
4-[3-[4-(2-methylphenyl)piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 119184332
3-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 119751577
4-methyl-1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]pentan-1-one
CID 28769074

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride (CID 119775893) is 3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride is Cc1ccccc1C1CCN(C(=O)CC(C)N)CC1.Cl.
What is the InChIKey of 3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride?
The InChIKey is YOMKJDKZBYRPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-12-5-3-4-6-15(12)14-7-9-18(10-8-14)16(19)11-13(2)17;/h3-6,13-14H,7-11,17H2,1-2H3;1H.
What are the key properties of 3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride?
3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 119775893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).