2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-one

C17H31NO3 — CID 82685075

IUPAC2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-one
SMILESCC(C)C1CCC(=O)C(CN2CCC(OCCO)CC2)C1
InChIInChI=1S/C17H31NO3/c1-13(2)14-3-4-17(20)15(11-14)12-18-7-5-16(6-8-18)21-10-9-19/h13-16,19H,3-12H2,1-2H3
InChIKeyTYPGCXLKBOAJPD-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.10
Rot. Bonds6

About 2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-one

2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-one (PubChem CID 82685075) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-one
PubChem CID82685075
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-one
SMILESCC(C)C1CCC(=O)C(CN2CCC(OCCO)CC2)C1
InChIInChI=1S/C17H31NO3/c1-13(2)14-3-4-17(20)15(11-14)12-18-7-5-16(6-8-18)21-10-9-19/h13-16,19H,3-12H2,1-2H3
InChIKeyTYPGCXLKBOAJPD-UHFFFAOYSA-N
XLogP2.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-one?
The IUPAC name of 2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-one (CID 82685075) is 2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for 2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-one?
The canonical SMILES for 2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-one is CC(C)C1CCC(=O)C(CN2CCC(OCCO)CC2)C1.
What is the InChIKey of 2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-one?
The InChIKey is TYPGCXLKBOAJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-13(2)14-3-4-17(20)15(11-14)12-18-7-5-16(6-8-18)21-10-9-19/h13-16,19H,3-12H2,1-2H3.
What are the key properties of 2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-one?
2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-one has a molecular weight of 297.44 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 82685075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).