(1-cyclobutylpiperidin-3-yl)-[4-(1-hydroxyethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]methanone

C22H31NO2 — CID 138739975

IUPAC(1-cyclobutylpiperidin-3-yl)-[4-(1-hydroxyethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]methanone
SMILESCC(O)c1cc(C(=O)C2CCCN(C3CCC3)C2)cc2c1CCCC2
InChIInChI=1S/C22H31NO2/c1-15(24)21-13-18(12-16-6-2-3-10-20(16)21)22(25)17-7-5-11-23(14-17)19-8-4-9-19/h12-13,15,17,19,24H,2-11,14H2,1H3
InChIKeyFHNIGQJUBRANJB-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.07
Rot. Bonds4

About (1-cyclobutylpiperidin-3-yl)-[4-(1-hydroxyethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]methanone

(1-cyclobutylpiperidin-3-yl)-[4-(1-hydroxyethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]methanone (PubChem CID 138739975) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is (1-cyclobutylpiperidin-3-yl)-[4-(1-hydroxyethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]methanone.

Molecular Properties

Compound Name(1-cyclobutylpiperidin-3-yl)-[4-(1-hydroxyethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]methanone
PubChem CID138739975
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Name(1-cyclobutylpiperidin-3-yl)-[4-(1-hydroxyethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]methanone
SMILESCC(O)c1cc(C(=O)C2CCCN(C3CCC3)C2)cc2c1CCCC2
InChIInChI=1S/C22H31NO2/c1-15(24)21-13-18(12-16-6-2-3-10-20(16)21)22(25)17-7-5-11-23(14-17)19-8-4-9-19/h12-13,15,17,19,24H,2-11,14H2,1H3
InChIKeyFHNIGQJUBRANJB-UHFFFAOYSA-N
XLogP4.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-cyclobutylpiperidin-3-yl)-[4-(1-hydroxyethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]methanone with MolForge

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Related Compounds

(1-cyclopentylpiperidin-3-yl)-[4-(1-hydroxyethyl)naphthalen-2-yl]methanone
CID 121479288
[(3R)-1-cyclopentylpiperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 25279925
[4-(1-hydroxyethyl)naphthalen-2-yl]-(1-methylpiperidin-3-yl)methanone
CID 145118570
[(3S)-1-cyclobutylpiperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 25456675
(1-cyclopentylpiperidin-3-yl)-(7-ethyl-6,7-dihydronaphthalen-2-yl)methanone
CID 145118852
(1-cyclopentylpiperidin-3-yl)-(6-methylsulfinylnaphthalen-2-yl)methanone
CID 145118573
[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 29258112
[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45206649
(1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone
CID 45214819
[1-(1,4-dithiepan-6-yl)piperidin-3-yl]-(3-propan-2-yloxyphenyl)methanone
CID 45198049
[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 29185356
1-(1-cycloheptylpiperidin-3-yl)ethanone
CID 82926630

Frequently Asked Questions

What is the IUPAC name of (1-cyclobutylpiperidin-3-yl)-[4-(1-hydroxyethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]methanone?
The IUPAC name of (1-cyclobutylpiperidin-3-yl)-[4-(1-hydroxyethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]methanone (CID 138739975) is (1-cyclobutylpiperidin-3-yl)-[4-(1-hydroxyethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]methanone.
What is the SMILES notation for (1-cyclobutylpiperidin-3-yl)-[4-(1-hydroxyethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]methanone?
The canonical SMILES for (1-cyclobutylpiperidin-3-yl)-[4-(1-hydroxyethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]methanone is CC(O)c1cc(C(=O)C2CCCN(C3CCC3)C2)cc2c1CCCC2.
What is the InChIKey of (1-cyclobutylpiperidin-3-yl)-[4-(1-hydroxyethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]methanone?
The InChIKey is FHNIGQJUBRANJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c1-15(24)21-13-18(12-16-6-2-3-10-20(16)21)22(25)17-7-5-11-23(14-17)19-8-4-9-19/h12-13,15,17,19,24H,2-11,14H2,1H3.
What are the key properties of (1-cyclobutylpiperidin-3-yl)-[4-(1-hydroxyethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]methanone?
(1-cyclobutylpiperidin-3-yl)-[4-(1-hydroxyethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]methanone has a molecular weight of 341.50 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclobutylpiperidin-3-yl)-[4-(1-hydroxyethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]methanone is sourced from PubChem (CID 138739975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).