1-[(4-fluorophenyl)methyl]-7-(pyridin-3-ylmethyl)-1,7-diazaspiro[3.4]octane

C19H22FN3 — CID 134079041

IUPAC1-[(4-fluorophenyl)methyl]-7-(pyridin-3-ylmethyl)-1,7-diazaspiro[3.4]octane
SMILESFc1ccc(CN2CCC23CCN(Cc2cccnc2)C3)cc1
InChIInChI=1S/C19H22FN3/c20-18-5-3-16(4-6-18)14-23-11-8-19(23)7-10-22(15-19)13-17-2-1-9-21-12-17/h1-6,9,12H,7-8,10-11,13-15H2
InChIKeyRRNXHFBVPKUWQA-UHFFFAOYSA-N
MW311.40 g/mol
LogP3.07
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-7-(pyridin-3-ylmethyl)-1,7-diazaspiro[3.4]octane

1-[(4-fluorophenyl)methyl]-7-(pyridin-3-ylmethyl)-1,7-diazaspiro[3.4]octane (PubChem CID 134079041) has the molecular formula C19H22FN3 and a molecular weight of 311.40 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-7-(pyridin-3-ylmethyl)-1,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-7-(pyridin-3-ylmethyl)-1,7-diazaspiro[3.4]octane
PubChem CID134079041
Molecular FormulaC19H22FN3
Molecular Weight311.40 g/mol
Exact Mass311.18
IUPAC Name1-[(4-fluorophenyl)methyl]-7-(pyridin-3-ylmethyl)-1,7-diazaspiro[3.4]octane
SMILESFc1ccc(CN2CCC23CCN(Cc2cccnc2)C3)cc1
InChIInChI=1S/C19H22FN3/c20-18-5-3-16(4-6-18)14-23-11-8-19(23)7-10-22(15-19)13-17-2-1-9-21-12-17/h1-6,9,12H,7-8,10-11,13-15H2
InChIKeyRRNXHFBVPKUWQA-UHFFFAOYSA-N
XLogP3.07
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.07
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
1-[(4-fluorophenyl)methyl]-7-[(3-methylimidazol-4-yl)methyl]-1,7-diazaspiro[3.4]octane
CID 134072680
8-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97372599
1-[(4-fluorophenyl)methyl]-7-(3,3,3-trifluoropropyl)-1,7-diazaspiro[3.4]octane
CID 134072675
1-[(4-fluorophenyl)methyl]-7-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane
CID 131660553
3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
CID 117007748
(5S)-3-ethyl-9-[(4-fluorophenyl)methyl]-13-(pyridin-3-ylmethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97360499
1-[(4-fluorophenyl)methyl]-7-(1H-pyrazol-5-ylmethyl)-1,7-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 155856367
N,N-dimethyl-2-[2-(pyridin-3-ylmethyl)-2,6-diazaspiro[4.5]decan-6-yl]acetamide
CID 134070809
9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370659
1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-3-pyridin-3-ylpropan-1-one
CID 97396357
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyridine
CID 16674606

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-7-(pyridin-3-ylmethyl)-1,7-diazaspiro[3.4]octane?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-7-(pyridin-3-ylmethyl)-1,7-diazaspiro[3.4]octane (CID 134079041) is 1-[(4-fluorophenyl)methyl]-7-(pyridin-3-ylmethyl)-1,7-diazaspiro[3.4]octane.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-7-(pyridin-3-ylmethyl)-1,7-diazaspiro[3.4]octane?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-7-(pyridin-3-ylmethyl)-1,7-diazaspiro[3.4]octane is Fc1ccc(CN2CCC23CCN(Cc2cccnc2)C3)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-7-(pyridin-3-ylmethyl)-1,7-diazaspiro[3.4]octane?
The InChIKey is RRNXHFBVPKUWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3/c20-18-5-3-16(4-6-18)14-23-11-8-19(23)7-10-22(15-19)13-17-2-1-9-21-12-17/h1-6,9,12H,7-8,10-11,13-15H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-7-(pyridin-3-ylmethyl)-1,7-diazaspiro[3.4]octane?
1-[(4-fluorophenyl)methyl]-7-(pyridin-3-ylmethyl)-1,7-diazaspiro[3.4]octane has a molecular weight of 311.40 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-7-(pyridin-3-ylmethyl)-1,7-diazaspiro[3.4]octane is sourced from PubChem (CID 134079041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).