1-[[4-[(4-propylcyclohexyl)methyl]cyclohept-4-en-1-yl]methyl]piperidin-4-ol

C23H41NO — CID 175622917

IUPAC1-[[4-[(4-propylcyclohexyl)methyl]cyclohept-4-en-1-yl]methyl]piperidin-4-ol
SMILESCCCC1CCC(CC2=CCCC(CN3CCC(O)CC3)CC2)CC1
InChIInChI=1S/C23H41NO/c1-2-4-19-7-9-21(10-8-19)17-20-5-3-6-22(12-11-20)18-24-15-13-23(25)14-16-24/h5,19,21-23,25H,2-4,6-18H2,1H3
InChIKeyHXARUESRCIHLTF-UHFFFAOYSA-N
MW347.59 g/mol
LogP5.56
Rot. Bonds6

About 1-[[4-[(4-propylcyclohexyl)methyl]cyclohept-4-en-1-yl]methyl]piperidin-4-ol

1-[[4-[(4-propylcyclohexyl)methyl]cyclohept-4-en-1-yl]methyl]piperidin-4-ol (PubChem CID 175622917) has the molecular formula C23H41NO and a molecular weight of 347.59 g/mol. Its IUPAC name is 1-[[4-[(4-propylcyclohexyl)methyl]cyclohept-4-en-1-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-[(4-propylcyclohexyl)methyl]cyclohept-4-en-1-yl]methyl]piperidin-4-ol
PubChem CID175622917
Molecular FormulaC23H41NO
Molecular Weight347.59 g/mol
Exact Mass347.32
IUPAC Name1-[[4-[(4-propylcyclohexyl)methyl]cyclohept-4-en-1-yl]methyl]piperidin-4-ol
SMILESCCCC1CCC(CC2=CCCC(CN3CCC(O)CC3)CC2)CC1
InChIInChI=1S/C23H41NO/c1-2-4-19-7-9-21(10-8-19)17-20-5-3-6-22(12-11-20)18-24-15-13-23(25)14-16-24/h5,19,21-23,25H,2-4,6-18H2,1H3
InChIKeyHXARUESRCIHLTF-UHFFFAOYSA-N
XLogP5.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.59
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[[4-[(4-propylcyclohexyl)methyl]cyclohept-4-en-1-yl]methyl]piperidin-4-ol with MolForge

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Related Compounds

1-[(4-Isopropenyl-1-cyclohexen-1-yl)methyl]-4-piperidinol
CID 2846086
Cambridge id 5429856
CID 783454
(3S,4R)-1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol
CID 70596071
1-Methyl-3-(3-methylbut-2-enyl)piperidin-4-ol
CID 70596074
(3R,4S)-1-methyl-3-(3-methylbut-2-enyl)piperidin-4-ol
CID 70596075
5-[4-(4-methylhexan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-ol
CID 90689089
2-Methyl-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol
CID 155721116
1-[4-(3-Methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol
CID 157039266
(4-Methylcyclohex-3-en-1-yl)-(1-methylpiperidin-4-yl)methanol
CID 163485702
1-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperidin-4-ol
CID 783455
1-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-ol
CID 99832320
1-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-ol
CID 99832321

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(4-propylcyclohexyl)methyl]cyclohept-4-en-1-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[4-[(4-propylcyclohexyl)methyl]cyclohept-4-en-1-yl]methyl]piperidin-4-ol (CID 175622917) is 1-[[4-[(4-propylcyclohexyl)methyl]cyclohept-4-en-1-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-[(4-propylcyclohexyl)methyl]cyclohept-4-en-1-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-[(4-propylcyclohexyl)methyl]cyclohept-4-en-1-yl]methyl]piperidin-4-ol is CCCC1CCC(CC2=CCCC(CN3CCC(O)CC3)CC2)CC1.
What is the InChIKey of 1-[[4-[(4-propylcyclohexyl)methyl]cyclohept-4-en-1-yl]methyl]piperidin-4-ol?
The InChIKey is HXARUESRCIHLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO/c1-2-4-19-7-9-21(10-8-19)17-20-5-3-6-22(12-11-20)18-24-15-13-23(25)14-16-24/h5,19,21-23,25H,2-4,6-18H2,1H3.
What are the key properties of 1-[[4-[(4-propylcyclohexyl)methyl]cyclohept-4-en-1-yl]methyl]piperidin-4-ol?
1-[[4-[(4-propylcyclohexyl)methyl]cyclohept-4-en-1-yl]methyl]piperidin-4-ol has a molecular weight of 347.59 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(4-propylcyclohexyl)methyl]cyclohept-4-en-1-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 175622917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).