1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]cyclohepta-1,3,5-trien-1-yl]-4-(methoxymethyl)cyclohexan-1-ol

C25H37NO2 — CID 123293406

IUPAC1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]cyclohepta-1,3,5-trien-1-yl]-4-(methoxymethyl)cyclohexan-1-ol
SMILESCOCC1CCC(O)(C2=CC=C(C=C3CCN(C4CCC4)CC3)C=CC2)CC1
InChIInChI=1S/C25H37NO2/c1-28-19-22-10-14-25(27,15-11-22)23-5-2-4-20(8-9-23)18-21-12-16-26(17-13-21)24-6-3-7-24/h2,4,8-9,18,22,24,27H,3,5-7,10-17,19H2,1H3
InChIKeyXYARIPXFKYMZRI-UHFFFAOYSA-N
MW383.58 g/mol
LogP4.94
Rot. Bonds5

About 1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]cyclohepta-1,3,5-trien-1-yl]-4-(methoxymethyl)cyclohexan-1-ol

1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]cyclohepta-1,3,5-trien-1-yl]-4-(methoxymethyl)cyclohexan-1-ol (PubChem CID 123293406) has the molecular formula C25H37NO2 and a molecular weight of 383.58 g/mol. Its IUPAC name is 1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]cyclohepta-1,3,5-trien-1-yl]-4-(methoxymethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]cyclohepta-1,3,5-trien-1-yl]-4-(methoxymethyl)cyclohexan-1-ol
PubChem CID123293406
Molecular FormulaC25H37NO2
Molecular Weight383.58 g/mol
Exact Mass383.28
IUPAC Name1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]cyclohepta-1,3,5-trien-1-yl]-4-(methoxymethyl)cyclohexan-1-ol
SMILESCOCC1CCC(O)(C2=CC=C(C=C3CCN(C4CCC4)CC3)C=CC2)CC1
InChIInChI=1S/C25H37NO2/c1-28-19-22-10-14-25(27,15-11-22)23-5-2-4-20(8-9-23)18-21-12-16-26(17-13-21)24-6-3-7-24/h2,4,8-9,18,22,24,27H,3,5-7,10-17,19H2,1H3
InChIKeyXYARIPXFKYMZRI-UHFFFAOYSA-N
XLogP4.94
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(1-Cyclobutylpiperidin-4-ylidene)methyl]cyclohexa-1,5-dien-1-yl]-4-propylpentane-1,5-diol
CID 123280097
1-[4-[(1-Cyclobutylpiperidin-4-ylidene)methyl]-5-methylcyclohexa-1,3-dien-1-yl]-3-methoxycycloheptan-1-ol
CID 123782771

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]cyclohepta-1,3,5-trien-1-yl]-4-(methoxymethyl)cyclohexan-1-ol?
The IUPAC name of 1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]cyclohepta-1,3,5-trien-1-yl]-4-(methoxymethyl)cyclohexan-1-ol (CID 123293406) is 1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]cyclohepta-1,3,5-trien-1-yl]-4-(methoxymethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]cyclohepta-1,3,5-trien-1-yl]-4-(methoxymethyl)cyclohexan-1-ol?
The canonical SMILES for 1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]cyclohepta-1,3,5-trien-1-yl]-4-(methoxymethyl)cyclohexan-1-ol is COCC1CCC(O)(C2=CC=C(C=C3CCN(C4CCC4)CC3)C=CC2)CC1.
What is the InChIKey of 1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]cyclohepta-1,3,5-trien-1-yl]-4-(methoxymethyl)cyclohexan-1-ol?
The InChIKey is XYARIPXFKYMZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37NO2/c1-28-19-22-10-14-25(27,15-11-22)23-5-2-4-20(8-9-23)18-21-12-16-26(17-13-21)24-6-3-7-24/h2,4,8-9,18,22,24,27H,3,5-7,10-17,19H2,1H3.
What are the key properties of 1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]cyclohepta-1,3,5-trien-1-yl]-4-(methoxymethyl)cyclohexan-1-ol?
1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]cyclohepta-1,3,5-trien-1-yl]-4-(methoxymethyl)cyclohexan-1-ol has a molecular weight of 383.58 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]cyclohepta-1,3,5-trien-1-yl]-4-(methoxymethyl)cyclohexan-1-ol is sourced from PubChem (CID 123293406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).