6-benzyl-1-piperazin-1-ylcyclohexa-2,4-dien-1-ol

C17H22N2O — CID 67816707

IUPAC6-benzyl-1-piperazin-1-ylcyclohexa-2,4-dien-1-ol
SMILESOC1(N2CCNCC2)C=CC=CC1Cc1ccccc1
InChIInChI=1S/C17H22N2O/c20-17(19-12-10-18-11-13-19)9-5-4-8-16(17)14-15-6-2-1-3-7-15/h1-9,16,18,20H,10-14H2
InChIKeyPNPFMSUDPROFAX-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.57
Rot. Bonds3

About 6-benzyl-1-piperazin-1-ylcyclohexa-2,4-dien-1-ol

6-benzyl-1-piperazin-1-ylcyclohexa-2,4-dien-1-ol (PubChem CID 67816707) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 6-benzyl-1-piperazin-1-ylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-benzyl-1-piperazin-1-ylcyclohexa-2,4-dien-1-ol
PubChem CID67816707
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name6-benzyl-1-piperazin-1-ylcyclohexa-2,4-dien-1-ol
SMILESOC1(N2CCNCC2)C=CC=CC1Cc1ccccc1
InChIInChI=1S/C17H22N2O/c20-17(19-12-10-18-11-13-19)9-5-4-8-16(17)14-15-6-2-1-3-7-15/h1-9,16,18,20H,10-14H2
InChIKeyPNPFMSUDPROFAX-UHFFFAOYSA-N
XLogP1.57
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-benzyl-1-(chloromethyl)cyclohexa-2,4-diene-1-thiol
CID 138592237
1-[(3-benzylcyclobutyl)methyl]piperazine
CID 173344354
1-(4-phenylphenyl)-6-piperazin-1-ylcyclohexa-2,4-diene-1-carboxylic acid
CID 70099065
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
(2S)-2-benzylpiperazine-1-carboxylic acid
CID 141413078
[2-(1,4-diazepan-1-yl)-1,3-dihydroinden-2-yl]methanol
CID 61048443
azane;1-benzylpiperazine
CID 174866973
N-benzyl-2-piperazin-1-ylethanamine
CID 14900561
N-(2-phenylethyl)-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
CID 69207344
CID 163524429
CID 163524429
1-benzylsulfanylpiperazine
CID 143158923
1-(1-phenylcyclopropyl)piperazine;dihydrochloride
CID 53407087

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1-piperazin-1-ylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-benzyl-1-piperazin-1-ylcyclohexa-2,4-dien-1-ol (CID 67816707) is 6-benzyl-1-piperazin-1-ylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-benzyl-1-piperazin-1-ylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-benzyl-1-piperazin-1-ylcyclohexa-2,4-dien-1-ol is OC1(N2CCNCC2)C=CC=CC1Cc1ccccc1.
What is the InChIKey of 6-benzyl-1-piperazin-1-ylcyclohexa-2,4-dien-1-ol?
The InChIKey is PNPFMSUDPROFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c20-17(19-12-10-18-11-13-19)9-5-4-8-16(17)14-15-6-2-1-3-7-15/h1-9,16,18,20H,10-14H2.
What are the key properties of 6-benzyl-1-piperazin-1-ylcyclohexa-2,4-dien-1-ol?
6-benzyl-1-piperazin-1-ylcyclohexa-2,4-dien-1-ol has a molecular weight of 270.38 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1-piperazin-1-ylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 67816707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).