(4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone

C14H26N2O — CID 79868589

IUPAC(4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone
SMILESCC1CN(C(=O)C2CCCCCC2)CCC1N
InChIInChI=1S/C14H26N2O/c1-11-10-16(9-8-13(11)15)14(17)12-6-4-2-3-5-7-12/h11-13H,2-10,15H2,1H3
InChIKeyOIVNBBWKNKXSKT-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.15
Rot. Bonds1

About (4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone

(4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone (PubChem CID 79868589) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone.

Molecular Properties

Compound Name(4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone
PubChem CID79868589
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone
SMILESCC1CN(C(=O)C2CCCCCC2)CCC1N
InChIInChI=1S/C14H26N2O/c1-11-10-16(9-8-13(11)15)14(17)12-6-4-2-3-5-7-12/h11-13H,2-10,15H2,1H3
InChIKeyOIVNBBWKNKXSKT-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-amino-3-methylpiperidin-1-yl)-cyclobutylmethanone
CID 79867706
(4-amino-3-methylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone
CID 79867793
(4-chloro-3-methylpiperidin-1-yl)-cyclooctylmethanone
CID 114683217
cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone
CID 21061776
cyclohexyl-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498355
cycloheptyl-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498190
[(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride
CID 119934542
(3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid
CID 146402119
(4-amino-3-methylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 79879328
(3-amino-4-ethylpiperidin-1-yl)-cyclopentylmethanone
CID 165439908
1-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]ethanone
CID 129355291
1-(4-amino-3-methylpiperidin-1-yl)ethanone;hydrochloride
CID 71757060

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone?
The IUPAC name of (4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone (CID 79868589) is (4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone.
What is the SMILES notation for (4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone?
The canonical SMILES for (4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone is CC1CN(C(=O)C2CCCCCC2)CCC1N.
What is the InChIKey of (4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone?
The InChIKey is OIVNBBWKNKXSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-10-16(9-8-13(11)15)14(17)12-6-4-2-3-5-7-12/h11-13H,2-10,15H2,1H3.
What are the key properties of (4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone?
(4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone has a molecular weight of 238.37 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone is sourced from PubChem (CID 79868589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).