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

C18H28N2O — CID 23641132

IUPAC4-[[(2S)-1-(cyclohexylmethyl)piperazin-2-yl]methyl]phenol
SMILESOc1ccc(C[C@H]2CNCCN2CC2CCCCC2)cc1
InChIInChI=1S/C18H28N2O/c21-18-8-6-15(7-9-18)12-17-13-19-10-11-20(17)14-16-4-2-1-3-5-16/h6-9,16-17,19,21H,1-5,10-14H2/t17-/m0/s1
InChIKeyODTZNNLUNFYDMG-KRWDZBQOSA-N
MW288.43 g/mol
LogP2.79
Rot. Bonds4

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

4-[[(2S)-1-(cyclohexylmethyl)piperazin-2-yl]methyl]phenol (PubChem CID 23641132) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 4-[[(2S)-1-(cyclohexylmethyl)piperazin-2-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[(2S)-1-(cyclohexylmethyl)piperazin-2-yl]methyl]phenol
PubChem CID23641132
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name4-[[(2S)-1-(cyclohexylmethyl)piperazin-2-yl]methyl]phenol
SMILESOc1ccc(C[C@H]2CNCCN2CC2CCCCC2)cc1
InChIInChI=1S/C18H28N2O/c21-18-8-6-15(7-9-18)12-17-13-19-10-11-20(17)14-16-4-2-1-3-5-16/h6-9,16-17,19,21H,1-5,10-14H2/t17-/m0/s1
InChIKeyODTZNNLUNFYDMG-KRWDZBQOSA-N
XLogP2.79
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(2S)-1-(cyclohexylmethyl)piperazin-2-yl]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(+-)-Pholedrine
CID 4655
(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione
CID 11267350
(3S,6S)-3-Benzyl-6-(4-Hydroxy-Benzyl)-Piperazine-2,5-Dione
CID 11438306
Pholedrine sulfate
CID 93020
P-Hydroxymethamphetamine
CID 158815
4-[2-(3-Phenyl-propylamino)-ethyl]-phenol
CID 10565541
4-{2-[Ethyl-(4-phenyl-butyl)-amino]-ethyl}-phenol
CID 10685438
4-[2-(4-Phenyl-butylamino)-ethyl]-phenol
CID 10707108
3-(2-Phenyl-2-(piperazin-1-yl)ethyl)phenol
CID 13904714
2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol
CID 16037872
(3S,6S)-3-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 15550385
(R)-Desisopropyl Tolterodine
CID 9857016

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-1-(cyclohexylmethyl)piperazin-2-yl]methyl]phenol?
The IUPAC name of 4-[[(2S)-1-(cyclohexylmethyl)piperazin-2-yl]methyl]phenol (CID 23641132) is 4-[[(2S)-1-(cyclohexylmethyl)piperazin-2-yl]methyl]phenol.
What is the SMILES notation for 4-[[(2S)-1-(cyclohexylmethyl)piperazin-2-yl]methyl]phenol?
The canonical SMILES for 4-[[(2S)-1-(cyclohexylmethyl)piperazin-2-yl]methyl]phenol is Oc1ccc(C[C@H]2CNCCN2CC2CCCCC2)cc1.
What is the InChIKey of 4-[[(2S)-1-(cyclohexylmethyl)piperazin-2-yl]methyl]phenol?
The InChIKey is ODTZNNLUNFYDMG-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H28N2O/c21-18-8-6-15(7-9-18)12-17-13-19-10-11-20(17)14-16-4-2-1-3-5-16/h6-9,16-17,19,21H,1-5,10-14H2/t17-/m0/s1.
What are the key properties of 4-[[(2S)-1-(cyclohexylmethyl)piperazin-2-yl]methyl]phenol?
4-[[(2S)-1-(cyclohexylmethyl)piperazin-2-yl]methyl]phenol has a molecular weight of 288.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-1-(cyclohexylmethyl)piperazin-2-yl]methyl]phenol is sourced from PubChem (CID 23641132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).