(4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride

C13H19ClN2O — CID 119372796

IUPAC(4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride
SMILESCc1ccccc1C(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-10-4-2-3-5-12(10)13(16)15-8-6-11(14)7-9-15;/h2-5,11H,6-9,14H2,1H3;1H
InChIKeyVUGPASCZKWJYCO-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.98
Rot. Bonds1

About (4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride

(4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride (PubChem CID 119372796) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride
PubChem CID119372796
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name(4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride
SMILESCc1ccccc1C(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-10-4-2-3-5-12(10)13(16)15-8-6-11(14)7-9-15;/h2-5,11H,6-9,14H2,1H3;1H
InChIKeyVUGPASCZKWJYCO-UHFFFAOYSA-N
XLogP1.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
(4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone
CID 114028051
[4-(1-hydroxypropyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 112537576
[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70845735
[4-(1-hydroxycyclopropyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 138382236
(4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 86276608
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
(4-aminopiperidin-1-yl)-(2-phenoxyphenyl)methanone
CID 119373846
(2-methylphenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
CID 70253538
[3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 110472052
1-(4-aminopiperidin-1-yl)-2-(2-methylphenyl)ethanone;hydrochloride
CID 119164426
(2-methylphenyl)-(4-thiophen-2-ylpiperidin-1-yl)methanone
CID 71786844

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride (CID 119372796) is (4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride is Cc1ccccc1C(=O)N1CCC(N)CC1.Cl.
What is the InChIKey of (4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride?
The InChIKey is VUGPASCZKWJYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c1-10-4-2-3-5-12(10)13(16)15-8-6-11(14)7-9-15;/h2-5,11H,6-9,14H2,1H3;1H.
What are the key properties of (4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride?
(4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride is sourced from PubChem (CID 119372796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).