2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]phenol

C17H26N2O2 — CID 110904871

IUPAC2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(CC2(O)CCCCC2)CC1
InChIInChI=1S/C17H26N2O2/c20-16-7-3-2-6-15(16)19-12-10-18(11-13-19)14-17(21)8-4-1-5-9-17/h2-3,6-7,20-21H,1,4-5,8-14H2
InChIKeySNBFUGMVPMYSLD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.21
Rot. Bonds3

About 2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]phenol

2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]phenol (PubChem CID 110904871) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]phenol
PubChem CID110904871
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(CC2(O)CCCCC2)CC1
InChIInChI=1S/C17H26N2O2/c20-16-7-3-2-6-15(16)19-12-10-18(11-13-19)14-17(21)8-4-1-5-9-17/h2-3,6-7,20-21H,1,4-5,8-14H2
InChIKeySNBFUGMVPMYSLD-UHFFFAOYSA-N
XLogP2.21
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]phenol?
The IUPAC name of 2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]phenol (CID 110904871) is 2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]phenol is Oc1ccccc1N1CCN(CC2(O)CCCCC2)CC1.
What is the InChIKey of 2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]phenol?
The InChIKey is SNBFUGMVPMYSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c20-16-7-3-2-6-15(16)19-12-10-18(11-13-19)14-17(21)8-4-1-5-9-17/h2-3,6-7,20-21H,1,4-5,8-14H2.
What are the key properties of 2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]phenol?
2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]phenol has a molecular weight of 290.41 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]phenol is sourced from PubChem (CID 110904871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).