3-amino-1-(4-naphthalen-1-ylpiperidin-1-yl)butan-1-one;hydrochloride

C19H25ClN2O — CID 119760305

IUPAC3-amino-1-(4-naphthalen-1-ylpiperidin-1-yl)butan-1-one;hydrochloride
SMILESCC(N)CC(=O)N1CCC(c2cccc3ccccc23)CC1.Cl
InChIInChI=1S/C19H24N2O.ClH/c1-14(20)13-19(22)21-11-9-16(10-12-21)18-8-4-6-15-5-2-3-7-17(15)18;/h2-8,14,16H,9-13,20H2,1H3;1H
InChIKeyGJGJNJCCQJFXNM-UHFFFAOYSA-N
MW332.88 g/mol
LogP3.70
Rot. Bonds3

About 3-amino-1-(4-naphthalen-1-ylpiperidin-1-yl)butan-1-one;hydrochloride

3-amino-1-(4-naphthalen-1-ylpiperidin-1-yl)butan-1-one;hydrochloride (PubChem CID 119760305) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is 3-amino-1-(4-naphthalen-1-ylpiperidin-1-yl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-(4-naphthalen-1-ylpiperidin-1-yl)butan-1-one;hydrochloride
PubChem CID119760305
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC Name3-amino-1-(4-naphthalen-1-ylpiperidin-1-yl)butan-1-one;hydrochloride
SMILESCC(N)CC(=O)N1CCC(c2cccc3ccccc23)CC1.Cl
InChIInChI=1S/C19H24N2O.ClH/c1-14(20)13-19(22)21-11-9-16(10-12-21)18-8-4-6-15-5-2-3-7-17(15)18;/h2-8,14,16H,9-13,20H2,1H3;1H
InChIKeyGJGJNJCCQJFXNM-UHFFFAOYSA-N
XLogP3.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119775893
3-amino-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119834694
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
2,3-dihydroxy-N-methyl-4-(4-naphthalen-1-ylpiperidin-1-yl)-4-oxobutanamide
CID 23585284
ethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate
CID 24770902
(4-amino-1-bicyclo[2.2.2]octanyl)-(3-naphthalen-1-ylpyrrolidin-1-yl)methanone
CID 166303264
3-amino-1-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 120874023
3-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 119751577
3-amino-1-[4-(2-iodophenoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119814868
3-amino-1-[4-(2-phenylacetyl)piperazin-1-yl]butan-1-one
CID 119708809
3-amino-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119870857

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-naphthalen-1-ylpiperidin-1-yl)butan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-(4-naphthalen-1-ylpiperidin-1-yl)butan-1-one;hydrochloride (CID 119760305) is 3-amino-1-(4-naphthalen-1-ylpiperidin-1-yl)butan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-(4-naphthalen-1-ylpiperidin-1-yl)butan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-(4-naphthalen-1-ylpiperidin-1-yl)butan-1-one;hydrochloride is CC(N)CC(=O)N1CCC(c2cccc3ccccc23)CC1.Cl.
What is the InChIKey of 3-amino-1-(4-naphthalen-1-ylpiperidin-1-yl)butan-1-one;hydrochloride?
The InChIKey is GJGJNJCCQJFXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O.ClH/c1-14(20)13-19(22)21-11-9-16(10-12-21)18-8-4-6-15-5-2-3-7-17(15)18;/h2-8,14,16H,9-13,20H2,1H3;1H.
What are the key properties of 3-amino-1-(4-naphthalen-1-ylpiperidin-1-yl)butan-1-one;hydrochloride?
3-amino-1-(4-naphthalen-1-ylpiperidin-1-yl)butan-1-one;hydrochloride has a molecular weight of 332.88 g/mol, XLogP of 3.70, 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-naphthalen-1-ylpiperidin-1-yl)butan-1-one;hydrochloride is sourced from PubChem (CID 119760305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).