7-amino-1-(4-propan-2-ylpiperidin-1-yl)heptan-1-one;hydrochloride

C15H31ClN2O — CID 119806012

IUPAC7-amino-1-(4-propan-2-ylpiperidin-1-yl)heptan-1-one;hydrochloride
SMILESCC(C)C1CCN(C(=O)CCCCCCN)CC1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-13(2)14-8-11-17(12-9-14)15(18)7-5-3-4-6-10-16;/h13-14H,3-12,16H2,1-2H3;1H
InChIKeyXOKUNFSQSNJMGD-UHFFFAOYSA-N
MW290.88 g/mol
LogP3.21
Rot. Bonds7

About 7-amino-1-(4-propan-2-ylpiperidin-1-yl)heptan-1-one;hydrochloride

7-amino-1-(4-propan-2-ylpiperidin-1-yl)heptan-1-one;hydrochloride (PubChem CID 119806012) has the molecular formula C15H31ClN2O and a molecular weight of 290.88 g/mol. Its IUPAC name is 7-amino-1-(4-propan-2-ylpiperidin-1-yl)heptan-1-one;hydrochloride.

Molecular Properties

Compound Name7-amino-1-(4-propan-2-ylpiperidin-1-yl)heptan-1-one;hydrochloride
PubChem CID119806012
Molecular FormulaC15H31ClN2O
Molecular Weight290.88 g/mol
Exact Mass290.21
IUPAC Name7-amino-1-(4-propan-2-ylpiperidin-1-yl)heptan-1-one;hydrochloride
SMILESCC(C)C1CCN(C(=O)CCCCCCN)CC1.Cl
InChIInChI=1S/C15H30N2O.ClH/c1-13(2)14-8-11-17(12-9-14)15(18)7-5-3-4-6-10-16;/h13-14H,3-12,16H2,1-2H3;1H
InChIKeyXOKUNFSQSNJMGD-UHFFFAOYSA-N
XLogP3.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.88
LogP ≤ 53.21
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

5-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one
CID 103503955
7-amino-1-(4-ethylazepan-1-yl)heptan-1-one;hydrochloride
CID 119794873
N-[1-(6-aminohexanoyl)piperidin-4-yl]-2-methylpropanamide
CID 60947434
6-amino-1-(4-butylpiperidin-1-yl)hexan-1-one
CID 170126914
4-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119806019
6-amino-1-[4-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43133252
7-amino-1-pyrrolidin-1-ylheptan-1-one
CID 24707646
7-amino-1-(4,4-dimethylpiperidin-1-yl)heptan-1-one
CID 55157660
6-amino-1-[3-(diethylamino)pyrrolidin-1-yl]hexan-1-one
CID 55157992
1-(7-aminoheptanoyl)-N-butyl-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119738371
6-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one
CID 103532834
1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
CID 167479469

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(4-propan-2-ylpiperidin-1-yl)heptan-1-one;hydrochloride?
The IUPAC name of 7-amino-1-(4-propan-2-ylpiperidin-1-yl)heptan-1-one;hydrochloride (CID 119806012) is 7-amino-1-(4-propan-2-ylpiperidin-1-yl)heptan-1-one;hydrochloride.
What is the SMILES notation for 7-amino-1-(4-propan-2-ylpiperidin-1-yl)heptan-1-one;hydrochloride?
The canonical SMILES for 7-amino-1-(4-propan-2-ylpiperidin-1-yl)heptan-1-one;hydrochloride is CC(C)C1CCN(C(=O)CCCCCCN)CC1.Cl.
What is the InChIKey of 7-amino-1-(4-propan-2-ylpiperidin-1-yl)heptan-1-one;hydrochloride?
The InChIKey is XOKUNFSQSNJMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O.ClH/c1-13(2)14-8-11-17(12-9-14)15(18)7-5-3-4-6-10-16;/h13-14H,3-12,16H2,1-2H3;1H.
What are the key properties of 7-amino-1-(4-propan-2-ylpiperidin-1-yl)heptan-1-one;hydrochloride?
7-amino-1-(4-propan-2-ylpiperidin-1-yl)heptan-1-one;hydrochloride has a molecular weight of 290.88 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(4-propan-2-ylpiperidin-1-yl)heptan-1-one;hydrochloride is sourced from PubChem (CID 119806012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).