2-(hydroxymethyl)-1-[(4-methoxycyclohexyl)methyl]piperidin-4-ol

C14H27NO3 — CID 157039755

IUPAC2-(hydroxymethyl)-1-[(4-methoxycyclohexyl)methyl]piperidin-4-ol
SMILESCOC1CCC(CN2CCC(O)CC2CO)CC1
InChIInChI=1S/C14H27NO3/c1-18-14-4-2-11(3-5-14)9-15-7-6-13(17)8-12(15)10-16/h11-14,16-17H,2-10H2,1H3
InChIKeyZZWDADZZHLIHFR-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.01
Rot. Bonds4

About 2-(hydroxymethyl)-1-[(4-methoxycyclohexyl)methyl]piperidin-4-ol

2-(hydroxymethyl)-1-[(4-methoxycyclohexyl)methyl]piperidin-4-ol (PubChem CID 157039755) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1-[(4-methoxycyclohexyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-1-[(4-methoxycyclohexyl)methyl]piperidin-4-ol
PubChem CID157039755
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-(hydroxymethyl)-1-[(4-methoxycyclohexyl)methyl]piperidin-4-ol
SMILESCOC1CCC(CN2CCC(O)CC2CO)CC1
InChIInChI=1S/C14H27NO3/c1-18-14-4-2-11(3-5-14)9-15-7-6-13(17)8-12(15)10-16/h11-14,16-17H,2-10H2,1H3
InChIKeyZZWDADZZHLIHFR-UHFFFAOYSA-N
XLogP1.01
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1-[(4-methoxycyclohexyl)methyl]piperidin-4-ol?
The IUPAC name of 2-(hydroxymethyl)-1-[(4-methoxycyclohexyl)methyl]piperidin-4-ol (CID 157039755) is 2-(hydroxymethyl)-1-[(4-methoxycyclohexyl)methyl]piperidin-4-ol.
What is the SMILES notation for 2-(hydroxymethyl)-1-[(4-methoxycyclohexyl)methyl]piperidin-4-ol?
The canonical SMILES for 2-(hydroxymethyl)-1-[(4-methoxycyclohexyl)methyl]piperidin-4-ol is COC1CCC(CN2CCC(O)CC2CO)CC1.
What is the InChIKey of 2-(hydroxymethyl)-1-[(4-methoxycyclohexyl)methyl]piperidin-4-ol?
The InChIKey is ZZWDADZZHLIHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-18-14-4-2-11(3-5-14)9-15-7-6-13(17)8-12(15)10-16/h11-14,16-17H,2-10H2,1H3.
What are the key properties of 2-(hydroxymethyl)-1-[(4-methoxycyclohexyl)methyl]piperidin-4-ol?
2-(hydroxymethyl)-1-[(4-methoxycyclohexyl)methyl]piperidin-4-ol has a molecular weight of 257.37 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1-[(4-methoxycyclohexyl)methyl]piperidin-4-ol is sourced from PubChem (CID 157039755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).