7-amino-1-(3-methyl-3-phenylpiperidin-1-yl)heptan-1-one

C19H30N2O — CID 119786941

IUPAC7-amino-1-(3-methyl-3-phenylpiperidin-1-yl)heptan-1-one
SMILESCC1(c2ccccc2)CCCN(C(=O)CCCCCCN)C1
InChIInChI=1S/C19H30N2O/c1-19(17-10-5-4-6-11-17)13-9-15-21(16-19)18(22)12-7-2-3-8-14-20/h4-6,10-11H,2-3,7-9,12-16,20H2,1H3
InChIKeyXZKLWNFVCDGUQM-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.48
Rot. Bonds7

About 7-amino-1-(3-methyl-3-phenylpiperidin-1-yl)heptan-1-one

7-amino-1-(3-methyl-3-phenylpiperidin-1-yl)heptan-1-one (PubChem CID 119786941) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 7-amino-1-(3-methyl-3-phenylpiperidin-1-yl)heptan-1-one.

Molecular Properties

Compound Name7-amino-1-(3-methyl-3-phenylpiperidin-1-yl)heptan-1-one
PubChem CID119786941
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name7-amino-1-(3-methyl-3-phenylpiperidin-1-yl)heptan-1-one
SMILESCC1(c2ccccc2)CCCN(C(=O)CCCCCCN)C1
InChIInChI=1S/C19H30N2O/c1-19(17-10-5-4-6-11-17)13-9-15-21(16-19)18(22)12-7-2-3-8-14-20/h4-6,10-11H,2-3,7-9,12-16,20H2,1H3
InChIKeyXZKLWNFVCDGUQM-UHFFFAOYSA-N
XLogP3.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea
CID 97141328
4-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)butan-1-one;hydrochloride
CID 120592389
7-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]heptan-1-one;hydrochloride
CID 119811815
2-(cyclopropylmethylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)ethanone
CID 119786969
7-amino-1-(4-benzyl-3,3-dimethylpiperazin-1-yl)heptan-1-one
CID 119878630
1-[3-(3-methyl-3-phenylpiperidin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione
CID 72871274
1-(6-aminohexanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55165176
2-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120989835
7-amino-1-pyrrolidin-1-ylheptan-1-one
CID 24707646
2-amino-1-(3-methyl-3-phenylpiperidin-1-yl)-4-methylsulfonylbutan-1-one
CID 102560456
7-amino-1-(4,4-dimethylpiperidin-1-yl)heptan-1-one
CID 55157660
5-methyl-1-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 72875718

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(3-methyl-3-phenylpiperidin-1-yl)heptan-1-one?
The IUPAC name of 7-amino-1-(3-methyl-3-phenylpiperidin-1-yl)heptan-1-one (CID 119786941) is 7-amino-1-(3-methyl-3-phenylpiperidin-1-yl)heptan-1-one.
What is the SMILES notation for 7-amino-1-(3-methyl-3-phenylpiperidin-1-yl)heptan-1-one?
The canonical SMILES for 7-amino-1-(3-methyl-3-phenylpiperidin-1-yl)heptan-1-one is CC1(c2ccccc2)CCCN(C(=O)CCCCCCN)C1.
What is the InChIKey of 7-amino-1-(3-methyl-3-phenylpiperidin-1-yl)heptan-1-one?
The InChIKey is XZKLWNFVCDGUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-19(17-10-5-4-6-11-17)13-9-15-21(16-19)18(22)12-7-2-3-8-14-20/h4-6,10-11H,2-3,7-9,12-16,20H2,1H3.
What are the key properties of 7-amino-1-(3-methyl-3-phenylpiperidin-1-yl)heptan-1-one?
7-amino-1-(3-methyl-3-phenylpiperidin-1-yl)heptan-1-one has a molecular weight of 302.46 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(3-methyl-3-phenylpiperidin-1-yl)heptan-1-one is sourced from PubChem (CID 119786941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).