1-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]cyclohexan-1-ol

C19H30N2O2 — CID 110905104

IUPAC1-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]cyclohexan-1-ol
SMILESOC1(CN2CCN(CCOc3ccccc3)CC2)CCCCC1
InChIInChI=1S/C19H30N2O2/c22-19(9-5-2-6-10-19)17-21-13-11-20(12-14-21)15-16-23-18-7-3-1-4-8-18/h1,3-4,7-8,22H,2,5-6,9-17H2
InChIKeyXKYCHJIWTYPEIQ-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.38
Rot. Bonds6

About 1-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]cyclohexan-1-ol

1-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 110905104) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]cyclohexan-1-ol
PubChem CID110905104
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]cyclohexan-1-ol
SMILESOC1(CN2CCN(CCOc3ccccc3)CC2)CCCCC1
InChIInChI=1S/C19H30N2O2/c22-19(9-5-2-6-10-19)17-21-13-11-20(12-14-21)15-16-23-18-7-3-1-4-8-18/h1,3-4,7-8,22H,2,5-6,9-17H2
InChIKeyXKYCHJIWTYPEIQ-UHFFFAOYSA-N
XLogP2.38
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
4-(aminomethyl)-1-(2-phenoxyethyl)piperidin-4-ol
CID 95461531
N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide
CID 111363347
1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine
CID 80674242
1-(2-chloroethyl)-4-(2-phenoxyethyl)-1,4-diazepane
CID 63387533
N-(1-cyanocycloheptyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 55537421
(5R)-9-(2-phenoxyethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 124965240
1-(2-phenoxyethyl)-4-[[(3R)-3-phenyloxolan-3-yl]methyl]piperazine
CID 99930454
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
4-[4-(2-phenoxyethyl)piperazin-1-yl]butanoic acid
CID 119134542
2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]phenol
CID 110904871
1-[2-(4-chlorophenoxy)ethyl]-3-(hydroxymethyl)piperidin-3-ol
CID 56884401

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]cyclohexan-1-ol (CID 110905104) is 1-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]cyclohexan-1-ol is OC1(CN2CCN(CCOc3ccccc3)CC2)CCCCC1.
What is the InChIKey of 1-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is XKYCHJIWTYPEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c22-19(9-5-2-6-10-19)17-21-13-11-20(12-14-21)15-16-23-18-7-3-1-4-8-18/h1,3-4,7-8,22H,2,5-6,9-17H2.
What are the key properties of 1-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]cyclohexan-1-ol?
1-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 318.46 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 110905104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).