9-(cyclobutylmethyl)-2-[1-(2-fluorophenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane

C24H36FN3 — CID 45208503

IUPAC9-(cyclobutylmethyl)-2-[1-(2-fluorophenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane
SMILESFc1ccccc1N1CCC(N2CCC3(CCCN(CC4CCC4)C3)C2)CC1
InChIInChI=1S/C24H36FN3/c25-22-7-1-2-8-23(22)27-14-9-21(10-15-27)28-16-12-24(19-28)11-4-13-26(18-24)17-20-5-3-6-20/h1-2,7-8,20-21H,3-6,9-19H2
InChIKeyBMBGMGWHGDHZBA-UHFFFAOYSA-N
MW385.57 g/mol
LogP4.38
Rot. Bonds4

About 9-(cyclobutylmethyl)-2-[1-(2-fluorophenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane

9-(cyclobutylmethyl)-2-[1-(2-fluorophenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane (PubChem CID 45208503) has the molecular formula C24H36FN3 and a molecular weight of 385.57 g/mol. Its IUPAC name is 9-(cyclobutylmethyl)-2-[1-(2-fluorophenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(cyclobutylmethyl)-2-[1-(2-fluorophenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane
PubChem CID45208503
Molecular FormulaC24H36FN3
Molecular Weight385.57 g/mol
Exact Mass385.29
IUPAC Name9-(cyclobutylmethyl)-2-[1-(2-fluorophenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane
SMILESFc1ccccc1N1CCC(N2CCC3(CCCN(CC4CCC4)C3)C2)CC1
InChIInChI=1S/C24H36FN3/c25-22-7-1-2-8-23(22)27-14-9-21(10-15-27)28-16-12-24(19-28)11-4-13-26(18-24)17-20-5-3-6-20/h1-2,7-8,20-21H,3-6,9-19H2
InChIKeyBMBGMGWHGDHZBA-UHFFFAOYSA-N
XLogP4.38
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.57
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-4-(2-fluorophenyl)piperazine;propane
CID 143719363
1-(2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine
CID 97185936
(5S)-9-(cyclopropylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 95715641
2-(6-azaspiro[3.4]octan-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 167870965
N'-[1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-3-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 45234316
(5R)-2-(cyclopropylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane
CID 97370560
9-(cyclopropylmethyl)-2-[[2-(difluoromethoxy)phenyl]methyl]-2,9-diazaspiro[4.5]decane
CID 45218460
9-(2-methoxyethyl)-2-[1-(4-methoxyphenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane
CID 45222559
1-[1-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-4-yl]-4-(2-fluorophenyl)piperazine
CID 7329180
9-(cyclopropylmethyl)-2-[(E)-2-methyl-3-phenylprop-2-enyl]-2,9-diazaspiro[4.5]decane
CID 45174619
[1'-(cyclohexylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]-cyclopentylmethanone
CID 134788181
1-(2-fluorophenyl)-4-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]piperazine
CID 1317592

Frequently Asked Questions

What is the IUPAC name of 9-(cyclobutylmethyl)-2-[1-(2-fluorophenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(cyclobutylmethyl)-2-[1-(2-fluorophenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane (CID 45208503) is 9-(cyclobutylmethyl)-2-[1-(2-fluorophenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(cyclobutylmethyl)-2-[1-(2-fluorophenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(cyclobutylmethyl)-2-[1-(2-fluorophenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane is Fc1ccccc1N1CCC(N2CCC3(CCCN(CC4CCC4)C3)C2)CC1.
What is the InChIKey of 9-(cyclobutylmethyl)-2-[1-(2-fluorophenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane?
The InChIKey is BMBGMGWHGDHZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36FN3/c25-22-7-1-2-8-23(22)27-14-9-21(10-15-27)28-16-12-24(19-28)11-4-13-26(18-24)17-20-5-3-6-20/h1-2,7-8,20-21H,3-6,9-19H2.
What are the key properties of 9-(cyclobutylmethyl)-2-[1-(2-fluorophenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane?
9-(cyclobutylmethyl)-2-[1-(2-fluorophenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane has a molecular weight of 385.57 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclobutylmethyl)-2-[1-(2-fluorophenyl)piperidin-4-yl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 45208503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).