(4-amino-2-methylpiperidin-1-yl)-(2,2-dimethylcyclohexyl)methanone

C15H28N2O — CID 107181025

IUPAC(4-amino-2-methylpiperidin-1-yl)-(2,2-dimethylcyclohexyl)methanone
SMILESCC1CC(N)CCN1C(=O)C1CCCCC1(C)C
InChIInChI=1S/C15H28N2O/c1-11-10-12(16)7-9-17(11)14(18)13-6-4-5-8-15(13,2)3/h11-13H,4-10,16H2,1-3H3
InChIKeyBQTCBPMDJIDUAJ-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.54
Rot. Bonds1

About (4-amino-2-methylpiperidin-1-yl)-(2,2-dimethylcyclohexyl)methanone

(4-amino-2-methylpiperidin-1-yl)-(2,2-dimethylcyclohexyl)methanone (PubChem CID 107181025) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (4-amino-2-methylpiperidin-1-yl)-(2,2-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name(4-amino-2-methylpiperidin-1-yl)-(2,2-dimethylcyclohexyl)methanone
PubChem CID107181025
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(4-amino-2-methylpiperidin-1-yl)-(2,2-dimethylcyclohexyl)methanone
SMILESCC1CC(N)CCN1C(=O)C1CCCCC1(C)C
InChIInChI=1S/C15H28N2O/c1-11-10-12(16)7-9-17(11)14(18)13-6-4-5-8-15(13,2)3/h11-13H,4-10,16H2,1-3H3
InChIKeyBQTCBPMDJIDUAJ-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylcyclohexanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 107175956
1-(2,2-dimethylcyclopentanecarbonyl)-N'-hydroxypiperidine-2-carboximidamide
CID 107182819
(4-amino-2-methylpiperidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 104622517
1-[1-(2,2-dimethylcyclohexanecarbonyl)pyrrolidin-2-yl]propan-2-one
CID 107178848
[2-(bromomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107183977
[4-(chloromethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107183885
1-(2,2-dimethylcyclopentanecarbonyl)-4-ethylpiperidine-2-carboxylic acid
CID 107175943
(1S)-2,2-dimethylcyclohexane-1-carboxamide
CID 90019535
[4-(bromomethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107183985
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone
CID 107180972
(2R)-1-(2,2-dimethylcyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 107175429
2-[1-(2,2-dimethylcyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 107175719

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylpiperidin-1-yl)-(2,2-dimethylcyclohexyl)methanone?
The IUPAC name of (4-amino-2-methylpiperidin-1-yl)-(2,2-dimethylcyclohexyl)methanone (CID 107181025) is (4-amino-2-methylpiperidin-1-yl)-(2,2-dimethylcyclohexyl)methanone.
What is the SMILES notation for (4-amino-2-methylpiperidin-1-yl)-(2,2-dimethylcyclohexyl)methanone?
The canonical SMILES for (4-amino-2-methylpiperidin-1-yl)-(2,2-dimethylcyclohexyl)methanone is CC1CC(N)CCN1C(=O)C1CCCCC1(C)C.
What is the InChIKey of (4-amino-2-methylpiperidin-1-yl)-(2,2-dimethylcyclohexyl)methanone?
The InChIKey is BQTCBPMDJIDUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-11-10-12(16)7-9-17(11)14(18)13-6-4-5-8-15(13,2)3/h11-13H,4-10,16H2,1-3H3.
What are the key properties of (4-amino-2-methylpiperidin-1-yl)-(2,2-dimethylcyclohexyl)methanone?
(4-amino-2-methylpiperidin-1-yl)-(2,2-dimethylcyclohexyl)methanone has a molecular weight of 252.40 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylpiperidin-1-yl)-(2,2-dimethylcyclohexyl)methanone is sourced from PubChem (CID 107181025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).