3-cyclohexyl-1-[(2R)-2-propan-2-ylpiperidin-1-yl]propan-1-one

C17H31NO — CID 99808840

IUPAC3-cyclohexyl-1-[(2R)-2-propan-2-ylpiperidin-1-yl]propan-1-one
SMILESCC(C)[C@H]1CCCCN1C(=O)CCC1CCCCC1
InChIInChI=1S/C17H31NO/c1-14(2)16-10-6-7-13-18(16)17(19)12-11-15-8-4-3-5-9-15/h14-16H,3-13H2,1-2H3/t16-/m1/s1
InChIKeyHWVQXRFWVANTQN-MRXNPFEDSA-N
MW265.44 g/mol
LogP4.38
Rot. Bonds4

About 3-cyclohexyl-1-[(2R)-2-propan-2-ylpiperidin-1-yl]propan-1-one

3-cyclohexyl-1-[(2R)-2-propan-2-ylpiperidin-1-yl]propan-1-one (PubChem CID 99808840) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 3-cyclohexyl-1-[(2R)-2-propan-2-ylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-[(2R)-2-propan-2-ylpiperidin-1-yl]propan-1-one
PubChem CID99808840
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name3-cyclohexyl-1-[(2R)-2-propan-2-ylpiperidin-1-yl]propan-1-one
SMILESCC(C)[C@H]1CCCCN1C(=O)CCC1CCCCC1
InChIInChI=1S/C17H31NO/c1-14(2)16-10-6-7-13-18(16)17(19)12-11-15-8-4-3-5-9-15/h14-16H,3-13H2,1-2H3/t16-/m1/s1
InChIKeyHWVQXRFWVANTQN-MRXNPFEDSA-N
XLogP4.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[(2R)-2-propan-2-ylpiperidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclohexyl-1-[(2R)-2-propan-2-ylpiperidin-1-yl]propan-1-one (CID 99808840) is 3-cyclohexyl-1-[(2R)-2-propan-2-ylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-[(2R)-2-propan-2-ylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-[(2R)-2-propan-2-ylpiperidin-1-yl]propan-1-one is CC(C)[C@H]1CCCCN1C(=O)CCC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-[(2R)-2-propan-2-ylpiperidin-1-yl]propan-1-one?
The InChIKey is HWVQXRFWVANTQN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H31NO/c1-14(2)16-10-6-7-13-18(16)17(19)12-11-15-8-4-3-5-9-15/h14-16H,3-13H2,1-2H3/t16-/m1/s1.
What are the key properties of 3-cyclohexyl-1-[(2R)-2-propan-2-ylpiperidin-1-yl]propan-1-one?
3-cyclohexyl-1-[(2R)-2-propan-2-ylpiperidin-1-yl]propan-1-one has a molecular weight of 265.44 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[(2R)-2-propan-2-ylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 99808840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).