1-[(4-ethylcyclohexyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine

C19H38N2 — CID 79413433

IUPAC1-[(4-ethylcyclohexyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(CC2CCC(CC)CC2)C(C)C1C
InChIInChI=1S/C19H38N2/c1-5-12-20-19-11-13-21(16(4)15(19)3)14-18-9-7-17(6-2)8-10-18/h15-20H,5-14H2,1-4H3
InChIKeyKKJLDBSXNJVPJU-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.30
Rot. Bonds6

About 1-[(4-ethylcyclohexyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine

1-[(4-ethylcyclohexyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine (PubChem CID 79413433) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 1-[(4-ethylcyclohexyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(4-ethylcyclohexyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine
PubChem CID79413433
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name1-[(4-ethylcyclohexyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(CC2CCC(CC)CC2)C(C)C1C
InChIInChI=1S/C19H38N2/c1-5-12-20-19-11-13-21(16(4)15(19)3)14-18-9-7-17(6-2)8-10-18/h15-20H,5-14H2,1-4H3
InChIKeyKKJLDBSXNJVPJU-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-1-[(1-methylpiperidin-2-yl)methyl]-N-propylpiperidin-4-amine
CID 79407138
2,3-dimethyl-N-propyl-1-(3,3,3-trifluoropropyl)piperidin-4-amine
CID 79406592
1-(3-methoxypropyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79397144
2,3-dimethyl-1-(2-methylsulfanylpropyl)-N-propylpiperidin-4-amine
CID 113466578
1-[4-(dimethylamino)butyl]-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79406875
2,3-dimethyl-N-propyl-1-(2-thiomorpholin-4-ylethyl)piperidin-4-amine
CID 106325781
2,3-dimethyl-N-propyl-1-(4-propylcyclohexyl)piperidin-4-amine
CID 79413411
2,3-dimethyl-1-(2-phenylethyl)-N-propylpiperidin-4-amine
CID 79398266
1-[(2-ethylphenyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79413586
2,3-dimethyl-1-(2-prop-2-enylsulfanylethyl)-N-propylpiperidin-4-amine
CID 106429737
1-(2-cyclopropylethyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79406628
2,3-dimethyl-1-(2-methylbutan-2-yl)-N-propylpiperidin-4-amine
CID 79398269

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylcyclohexyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine?
The IUPAC name of 1-[(4-ethylcyclohexyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine (CID 79413433) is 1-[(4-ethylcyclohexyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-[(4-ethylcyclohexyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine?
The canonical SMILES for 1-[(4-ethylcyclohexyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine is CCCNC1CCN(CC2CCC(CC)CC2)C(C)C1C.
What is the InChIKey of 1-[(4-ethylcyclohexyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine?
The InChIKey is KKJLDBSXNJVPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-5-12-20-19-11-13-21(16(4)15(19)3)14-18-9-7-17(6-2)8-10-18/h15-20H,5-14H2,1-4H3.
What are the key properties of 1-[(4-ethylcyclohexyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine?
1-[(4-ethylcyclohexyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine has a molecular weight of 294.53 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylcyclohexyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine is sourced from PubChem (CID 79413433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).