1-[(4-fluorophenyl)methyl]-8-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane

C21H32FN3 — CID 97409300

IUPAC1-[(4-fluorophenyl)methyl]-8-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane
SMILESFc1ccc(CN2CCCC23CCN(CCN2CCCC2)CC3)cc1
InChIInChI=1S/C21H32FN3/c22-20-6-4-19(5-7-20)18-25-13-3-8-21(25)9-14-24(15-10-21)17-16-23-11-1-2-12-23/h4-7H,1-3,8-18H2
InChIKeyBVVBJNCFMUETOQ-UHFFFAOYSA-N
MW345.51 g/mol
LogP3.35
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-8-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane

1-[(4-fluorophenyl)methyl]-8-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane (PubChem CID 97409300) has the molecular formula C21H32FN3 and a molecular weight of 345.51 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-8-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-8-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane
PubChem CID97409300
Molecular FormulaC21H32FN3
Molecular Weight345.51 g/mol
Exact Mass345.26
IUPAC Name1-[(4-fluorophenyl)methyl]-8-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane
SMILESFc1ccc(CN2CCCC23CCN(CCN2CCCC2)CC3)cc1
InChIInChI=1S/C21H32FN3/c22-20-6-4-19(5-7-20)18-25-13-3-8-21(25)9-14-24(15-10-21)17-16-23-11-1-2-12-23/h4-7H,1-3,8-18H2
InChIKeyBVVBJNCFMUETOQ-UHFFFAOYSA-N
XLogP3.35
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97372598
cyclopropyl-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97396970
1-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one
CID 97493619
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
1-[(4-fluorophenyl)methyl]-7-(3,3,3-trifluoropropyl)-1,7-diazaspiro[3.4]octane
CID 134072675
1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131682828
(5R)-1-ethyl-9-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97370894
2-[(4-fluorophenyl)methyl]-2-azaspiro[5.5]undecane
CID 91111605
4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine
CID 58243431
1-[(4-fluorophenyl)methyl]-7-[(3-methylimidazol-4-yl)methyl]-1,7-diazaspiro[3.4]octane
CID 134072680
8-[(4-fluorophenyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[5.5]undecane
CID 131660791
1-benzyl-1,9-diazaspiro[5.5]undecane
CID 25212931

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-8-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-8-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane (CID 97409300) is 1-[(4-fluorophenyl)methyl]-8-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-8-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-8-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane is Fc1ccc(CN2CCCC23CCN(CCN2CCCC2)CC3)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-8-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane?
The InChIKey is BVVBJNCFMUETOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FN3/c22-20-6-4-19(5-7-20)18-25-13-3-8-21(25)9-14-24(15-10-21)17-16-23-11-1-2-12-23/h4-7H,1-3,8-18H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-8-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane?
1-[(4-fluorophenyl)methyl]-8-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane has a molecular weight of 345.51 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-8-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97409300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).