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

C17H32N2O — CID 107174400

IUPAC(2,2-dimethylcyclohexyl)-[4-(propylamino)piperidin-1-yl]methanone
SMILESCCCNC1CCN(C(=O)C2CCCCC2(C)C)CC1
InChIInChI=1S/C17H32N2O/c1-4-11-18-14-8-12-19(13-9-14)16(20)15-7-5-6-10-17(15,2)3/h14-15,18H,4-13H2,1-3H3
InChIKeyLMMFBJSOLGDGRF-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.19
Rot. Bonds4

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

(2,2-dimethylcyclohexyl)-[4-(propylamino)piperidin-1-yl]methanone (PubChem CID 107174400) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is (2,2-dimethylcyclohexyl)-[4-(propylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclohexyl)-[4-(propylamino)piperidin-1-yl]methanone
PubChem CID107174400
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name(2,2-dimethylcyclohexyl)-[4-(propylamino)piperidin-1-yl]methanone
SMILESCCCNC1CCN(C(=O)C2CCCCC2(C)C)CC1
InChIInChI=1S/C17H32N2O/c1-4-11-18-14-8-12-19(13-9-14)16(20)15-7-5-6-10-17(15,2)3/h14-15,18H,4-13H2,1-3H3
InChIKeyLMMFBJSOLGDGRF-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107181008
[4-(chloromethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107183885
[4-(bromomethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107183985
2-[1-(2,2-dimethylcyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 107175719
[4-(1-aminoethyl)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107180739
(2,2-dimethylcyclopentyl)-(4-hydroxypiperidin-1-yl)methanone
CID 104917952
(4-bromopiperidin-1-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107183919
[4-(2-chloroethoxy)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107184260
4-(propylamino)piperidine-1-carbothioic S-acid
CID 143221289
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,2-dimethylcyclohexyl)methanone
CID 107181027
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107174530
2-bicyclo[2.2.1]heptanyl-[4-(propylamino)piperidin-1-yl]methanone
CID 61366100

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclohexyl)-[4-(propylamino)piperidin-1-yl]methanone?
The IUPAC name of (2,2-dimethylcyclohexyl)-[4-(propylamino)piperidin-1-yl]methanone (CID 107174400) is (2,2-dimethylcyclohexyl)-[4-(propylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2,2-dimethylcyclohexyl)-[4-(propylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2,2-dimethylcyclohexyl)-[4-(propylamino)piperidin-1-yl]methanone is CCCNC1CCN(C(=O)C2CCCCC2(C)C)CC1.
What is the InChIKey of (2,2-dimethylcyclohexyl)-[4-(propylamino)piperidin-1-yl]methanone?
The InChIKey is LMMFBJSOLGDGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-4-11-18-14-8-12-19(13-9-14)16(20)15-7-5-6-10-17(15,2)3/h14-15,18H,4-13H2,1-3H3.
What are the key properties of (2,2-dimethylcyclohexyl)-[4-(propylamino)piperidin-1-yl]methanone?
(2,2-dimethylcyclohexyl)-[4-(propylamino)piperidin-1-yl]methanone has a molecular weight of 280.46 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclohexyl)-[4-(propylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 107174400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).