4-[2-[4-(hydroxymethyl)piperidin-3-yl]ethyl]cyclohexan-1-ol

C14H27NO2 — CID 70906713

IUPAC4-[2-[4-(hydroxymethyl)piperidin-3-yl]ethyl]cyclohexan-1-ol
SMILESOCC1CCNCC1CCC1CCC(O)CC1
InChIInChI=1S/C14H27NO2/c16-10-13-7-8-15-9-12(13)4-1-11-2-5-14(17)6-3-11/h11-17H,1-10H2
InChIKeyOHFAAVCYTYFGNK-UHFFFAOYSA-N
MW241.37 g/mol
LogP1.54
Rot. Bonds4

About 4-[2-[4-(hydroxymethyl)piperidin-3-yl]ethyl]cyclohexan-1-ol

4-[2-[4-(hydroxymethyl)piperidin-3-yl]ethyl]cyclohexan-1-ol (PubChem CID 70906713) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-[2-[4-(hydroxymethyl)piperidin-3-yl]ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-[4-(hydroxymethyl)piperidin-3-yl]ethyl]cyclohexan-1-ol
PubChem CID70906713
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-[2-[4-(hydroxymethyl)piperidin-3-yl]ethyl]cyclohexan-1-ol
SMILESOCC1CCNCC1CCC1CCC(O)CC1
InChIInChI=1S/C14H27NO2/c16-10-13-7-8-15-9-12(13)4-1-11-2-5-14(17)6-3-11/h11-17H,1-10H2
InChIKeyOHFAAVCYTYFGNK-UHFFFAOYSA-N
XLogP1.54
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(hydroxymethyl)piperidin-3-yl]ethyl]cyclohexan-1-ol?
The IUPAC name of 4-[2-[4-(hydroxymethyl)piperidin-3-yl]ethyl]cyclohexan-1-ol (CID 70906713) is 4-[2-[4-(hydroxymethyl)piperidin-3-yl]ethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-[4-(hydroxymethyl)piperidin-3-yl]ethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-[4-(hydroxymethyl)piperidin-3-yl]ethyl]cyclohexan-1-ol is OCC1CCNCC1CCC1CCC(O)CC1.
What is the InChIKey of 4-[2-[4-(hydroxymethyl)piperidin-3-yl]ethyl]cyclohexan-1-ol?
The InChIKey is OHFAAVCYTYFGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c16-10-13-7-8-15-9-12(13)4-1-11-2-5-14(17)6-3-11/h11-17H,1-10H2.
What are the key properties of 4-[2-[4-(hydroxymethyl)piperidin-3-yl]ethyl]cyclohexan-1-ol?
4-[2-[4-(hydroxymethyl)piperidin-3-yl]ethyl]cyclohexan-1-ol has a molecular weight of 241.37 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(hydroxymethyl)piperidin-3-yl]ethyl]cyclohexan-1-ol is sourced from PubChem (CID 70906713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).