(4-methylcyclohexyl)-(3-propylpiperidin-3-yl)methanone

C16H29NO — CID 116569810

IUPAC(4-methylcyclohexyl)-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)C2CCC(C)CC2)CCCNC1
InChIInChI=1S/C16H29NO/c1-3-9-16(10-4-11-17-12-16)15(18)14-7-5-13(2)6-8-14/h13-14,17H,3-12H2,1-2H3
InChIKeyGRIAGDVABIQRID-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.55
Rot. Bonds4

About (4-methylcyclohexyl)-(3-propylpiperidin-3-yl)methanone

(4-methylcyclohexyl)-(3-propylpiperidin-3-yl)methanone (PubChem CID 116569810) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is (4-methylcyclohexyl)-(3-propylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(4-methylcyclohexyl)-(3-propylpiperidin-3-yl)methanone
PubChem CID116569810
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name(4-methylcyclohexyl)-(3-propylpiperidin-3-yl)methanone
SMILESCCCC1(C(=O)C2CCC(C)CC2)CCCNC1
InChIInChI=1S/C16H29NO/c1-3-9-16(10-4-11-17-12-16)15(18)14-7-5-13(2)6-8-14/h13-14,17H,3-12H2,1-2H3
InChIKeyGRIAGDVABIQRID-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-(3-propylpiperidin-3-yl)methanone?
The IUPAC name of (4-methylcyclohexyl)-(3-propylpiperidin-3-yl)methanone (CID 116569810) is (4-methylcyclohexyl)-(3-propylpiperidin-3-yl)methanone.
What is the SMILES notation for (4-methylcyclohexyl)-(3-propylpiperidin-3-yl)methanone?
The canonical SMILES for (4-methylcyclohexyl)-(3-propylpiperidin-3-yl)methanone is CCCC1(C(=O)C2CCC(C)CC2)CCCNC1.
What is the InChIKey of (4-methylcyclohexyl)-(3-propylpiperidin-3-yl)methanone?
The InChIKey is GRIAGDVABIQRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-3-9-16(10-4-11-17-12-16)15(18)14-7-5-13(2)6-8-14/h13-14,17H,3-12H2,1-2H3.
What are the key properties of (4-methylcyclohexyl)-(3-propylpiperidin-3-yl)methanone?
(4-methylcyclohexyl)-(3-propylpiperidin-3-yl)methanone has a molecular weight of 251.41 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-(3-propylpiperidin-3-yl)methanone is sourced from PubChem (CID 116569810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).