7-amino-1-(4,4-dimethylpiperidin-1-yl)heptan-1-one

C14H28N2O — CID 55157660

IUPAC7-amino-1-(4,4-dimethylpiperidin-1-yl)heptan-1-one
SMILESCC1(C)CCN(C(=O)CCCCCCN)CC1
InChIInChI=1S/C14H28N2O/c1-14(2)8-11-16(12-9-14)13(17)7-5-3-4-6-10-15/h3-12,15H2,1-2H3
InChIKeyLGIPTHPTMQLQLZ-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.54
Rot. Bonds6

About 7-amino-1-(4,4-dimethylpiperidin-1-yl)heptan-1-one

7-amino-1-(4,4-dimethylpiperidin-1-yl)heptan-1-one (PubChem CID 55157660) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 7-amino-1-(4,4-dimethylpiperidin-1-yl)heptan-1-one.

Molecular Properties

Compound Name7-amino-1-(4,4-dimethylpiperidin-1-yl)heptan-1-one
PubChem CID55157660
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name7-amino-1-(4,4-dimethylpiperidin-1-yl)heptan-1-one
SMILESCC1(C)CCN(C(=O)CCCCCCN)CC1
InChIInChI=1S/C14H28N2O/c1-14(2)8-11-16(12-9-14)13(17)7-5-3-4-6-10-15/h3-12,15H2,1-2H3
InChIKeyLGIPTHPTMQLQLZ-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.54
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

1-(7-aminoheptanoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123998
1-(6-aminohexanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55165176
7-amino-1-pyrrolidin-1-ylheptan-1-one
CID 24707646
1-(6-aminohexanoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125457
2-amino-1-(4,4-dimethylpiperidin-1-yl)ethanone;ethane
CID 142306561
7-amino-1-(4-propan-2-ylpiperidin-1-yl)heptan-1-one;hydrochloride
CID 119806012
6-amino-1-[4-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43133252
6-(azepan-1-yl)-6-oxohexanamide;hexane-1,6-diamine
CID 174378277
6-amino-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)hexan-1-one
CID 4861310
1-(6-aminohexanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710863
6-amino-1-(4-butylpiperidin-1-yl)hexan-1-one
CID 170126914
6-amino-1-(3,3-difluoroazetidin-1-yl)hexan-1-one
CID 91109495

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(4,4-dimethylpiperidin-1-yl)heptan-1-one?
The IUPAC name of 7-amino-1-(4,4-dimethylpiperidin-1-yl)heptan-1-one (CID 55157660) is 7-amino-1-(4,4-dimethylpiperidin-1-yl)heptan-1-one.
What is the SMILES notation for 7-amino-1-(4,4-dimethylpiperidin-1-yl)heptan-1-one?
The canonical SMILES for 7-amino-1-(4,4-dimethylpiperidin-1-yl)heptan-1-one is CC1(C)CCN(C(=O)CCCCCCN)CC1.
What is the InChIKey of 7-amino-1-(4,4-dimethylpiperidin-1-yl)heptan-1-one?
The InChIKey is LGIPTHPTMQLQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(2)8-11-16(12-9-14)13(17)7-5-3-4-6-10-15/h3-12,15H2,1-2H3.
What are the key properties of 7-amino-1-(4,4-dimethylpiperidin-1-yl)heptan-1-one?
7-amino-1-(4,4-dimethylpiperidin-1-yl)heptan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(4,4-dimethylpiperidin-1-yl)heptan-1-one is sourced from PubChem (CID 55157660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).