[4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]methanol

C18H25NO — CID 71271147

IUPAC[4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]methanol
SMILESCC(=C1CCN(C2CCC2)CC1)c1ccc(CO)cc1
InChIInChI=1S/C18H25NO/c1-14(16-7-5-15(13-20)6-8-16)17-9-11-19(12-10-17)18-3-2-4-18/h5-8,18,20H,2-4,9-13H2,1H3
InChIKeyYAGJMEDTELNOHJ-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.60
Rot. Bonds3

About [4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]methanol

[4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]methanol (PubChem CID 71271147) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is [4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]methanol
PubChem CID71271147
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name[4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]methanol
SMILESCC(=C1CCN(C2CCC2)CC1)c1ccc(CO)cc1
InChIInChI=1S/C18H25NO/c1-14(16-7-5-15(13-20)6-8-16)17-9-11-19(12-10-17)18-3-2-4-18/h5-8,18,20H,2-4,9-13H2,1H3
InChIKeyYAGJMEDTELNOHJ-UHFFFAOYSA-N
XLogP3.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]benzoate
CID 71270984
5-[4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]-3-methyl-1,2,4-oxadiazole
CID 71271824
1-[(3R)-3-methylcyclohexyl]-4-[1-(4-propan-2-ylsulfinylphenyl)ethylidene]piperidine
CID 10177374
1-[4-[(1-cyclohexylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone
CID 23383773
[4-[(1-cyclopentylpyrrolidin-3-yl)methyl]phenyl]methanol
CID 72919703
1-[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]propan-2-ol
CID 71271257
3-[[4-[(1-cyclobutylpiperidin-4-ylidene)methyl]phenyl]methyl]pentan-3-ol
CID 123372484
(4-cyclobutyl-1,4-diazepan-1-yl)-(4-ethylphenyl)methanone
CID 131702217
[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 11538325
1-cyclobutyl-4-[[4-(3-methylbutyl)phenyl]methylidene]piperidine
CID 71271203
3-cyclobutyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
CID 67161575
tert-butyl 4-[4-[1-(4-propan-2-ylsulfonylphenyl)ethylidene]piperidin-1-yl]piperidine-1-carboxylate
CID 11730469

Frequently Asked Questions

What is the IUPAC name of [4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]methanol?
The IUPAC name of [4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]methanol (CID 71271147) is [4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]methanol.
What is the SMILES notation for [4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]methanol?
The canonical SMILES for [4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]methanol is CC(=C1CCN(C2CCC2)CC1)c1ccc(CO)cc1.
What is the InChIKey of [4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]methanol?
The InChIKey is YAGJMEDTELNOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-14(16-7-5-15(13-20)6-8-16)17-9-11-19(12-10-17)18-3-2-4-18/h5-8,18,20H,2-4,9-13H2,1H3.
What are the key properties of [4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]methanol?
[4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]methanol has a molecular weight of 271.40 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(1-cyclobutylpiperidin-4-ylidene)ethyl]phenyl]methanol is sourced from PubChem (CID 71271147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).