[4-(1-aminoethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone

C16H30N2O — CID 107180739

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
SMILESCC(N)C1CCN(C(=O)C2CCCCC2(C)C)CC1
InChIInChI=1S/C16H30N2O/c1-12(17)13-7-10-18(11-8-13)15(19)14-6-4-5-9-16(14,2)3/h12-14H,4-11,17H2,1-3H3
InChIKeyDYCSTQDWULKPTG-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.79
Rot. Bonds2

About [4-(1-aminoethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone

[4-(1-aminoethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone (PubChem CID 107180739) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
PubChem CID107180739
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
SMILESCC(N)C1CCN(C(=O)C2CCCCC2(C)C)CC1
InChIInChI=1S/C16H30N2O/c1-12(17)13-7-10-18(11-8-13)15(19)14-6-4-5-9-16(14,2)3/h12-14H,4-11,17H2,1-3H3
InChIKeyDYCSTQDWULKPTG-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(chloromethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107183885
[4-(bromomethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107183985
(2,2-dimethylcyclopentyl)-(4-hydroxypiperidin-1-yl)methanone
CID 104917952
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107174530
[4-(1-aminoethyl)piperidin-1-yl]-(1-methylcyclopentyl)methanone;hydrochloride
CID 119520786
2-[1-(2,2-dimethylcyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 107175719
(4-bromopiperidin-1-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107183919
(2,2-dimethylcyclohexyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 107174400
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107181008
[4-(2-chloroethoxy)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107184260
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,2-dimethylcyclohexyl)methanone
CID 107181027
4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid
CID 137372946

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone (CID 107180739) is [4-(1-aminoethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone is CC(N)C1CCN(C(=O)C2CCCCC2(C)C)CC1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone?
The InChIKey is DYCSTQDWULKPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12(17)13-7-10-18(11-8-13)15(19)14-6-4-5-9-16(14,2)3/h12-14H,4-11,17H2,1-3H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone?
[4-(1-aminoethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone has a molecular weight of 266.43 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone is sourced from PubChem (CID 107180739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).