2-[1-(4-methoxybutan-2-yl)piperidin-2-yl]cyclohexan-1-ol

C16H31NO2 — CID 114339904

IUPAC2-[1-(4-methoxybutan-2-yl)piperidin-2-yl]cyclohexan-1-ol
SMILESCOCCC(C)N1CCCCC1C1CCCCC1O
InChIInChI=1S/C16H31NO2/c1-13(10-12-19-2)17-11-6-5-8-15(17)14-7-3-4-9-16(14)18/h13-16,18H,3-12H2,1-2H3
InChIKeyMIIHGEGIJFCVQK-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.82
Rot. Bonds5

About 2-[1-(4-methoxybutan-2-yl)piperidin-2-yl]cyclohexan-1-ol

2-[1-(4-methoxybutan-2-yl)piperidin-2-yl]cyclohexan-1-ol (PubChem CID 114339904) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[1-(4-methoxybutan-2-yl)piperidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(4-methoxybutan-2-yl)piperidin-2-yl]cyclohexan-1-ol
PubChem CID114339904
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-[1-(4-methoxybutan-2-yl)piperidin-2-yl]cyclohexan-1-ol
SMILESCOCCC(C)N1CCCCC1C1CCCCC1O
InChIInChI=1S/C16H31NO2/c1-13(10-12-19-2)17-11-6-5-8-15(17)14-7-3-4-9-16(14)18/h13-16,18H,3-12H2,1-2H3
InChIKeyMIIHGEGIJFCVQK-UHFFFAOYSA-N
XLogP2.82
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxybutan-2-yl)piperidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-(4-methoxybutan-2-yl)piperidin-2-yl]cyclohexan-1-ol (CID 114339904) is 2-[1-(4-methoxybutan-2-yl)piperidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-(4-methoxybutan-2-yl)piperidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-(4-methoxybutan-2-yl)piperidin-2-yl]cyclohexan-1-ol is COCCC(C)N1CCCCC1C1CCCCC1O.
What is the InChIKey of 2-[1-(4-methoxybutan-2-yl)piperidin-2-yl]cyclohexan-1-ol?
The InChIKey is MIIHGEGIJFCVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-13(10-12-19-2)17-11-6-5-8-15(17)14-7-3-4-9-16(14)18/h13-16,18H,3-12H2,1-2H3.
What are the key properties of 2-[1-(4-methoxybutan-2-yl)piperidin-2-yl]cyclohexan-1-ol?
2-[1-(4-methoxybutan-2-yl)piperidin-2-yl]cyclohexan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxybutan-2-yl)piperidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 114339904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).