4-[[4-[5-[[1-(4-fluorophenyl)piperidin-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile

C29H34FN5 — CID 141328362

IUPAC4-[[4-[5-[[1-(4-fluorophenyl)piperidin-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCC(N3C=C(NC4CCN(c5ccc(F)cc5)CC4)C=CC3)CC2)cc1
InChIInChI=1S/C29H34FN5/c30-25-7-9-28(10-8-25)34-18-11-26(12-19-34)32-27-2-1-15-35(22-27)29-13-16-33(17-14-29)21-24-5-3-23(20-31)4-6-24/h1-10,22,26,29,32H,11-19,21H2
InChIKeyBMZVFGCTQGXTLC-UHFFFAOYSA-N
MW471.62 g/mol
LogP4.63
Rot. Bonds6

About 4-[[4-[5-[[1-(4-fluorophenyl)piperidin-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile

4-[[4-[5-[[1-(4-fluorophenyl)piperidin-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile (PubChem CID 141328362) has the molecular formula C29H34FN5 and a molecular weight of 471.62 g/mol. Its IUPAC name is 4-[[4-[5-[[1-(4-fluorophenyl)piperidin-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[4-[5-[[1-(4-fluorophenyl)piperidin-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile
PubChem CID141328362
Molecular FormulaC29H34FN5
Molecular Weight471.62 g/mol
Exact Mass471.28
IUPAC Name4-[[4-[5-[[1-(4-fluorophenyl)piperidin-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CCC(N3C=C(NC4CCN(c5ccc(F)cc5)CC4)C=CC3)CC2)cc1
InChIInChI=1S/C29H34FN5/c30-25-7-9-28(10-8-25)34-18-11-26(12-19-34)32-27-2-1-15-35(22-27)29-13-16-33(17-14-29)21-24-5-3-23(20-31)4-6-24/h1-10,22,26,29,32H,11-19,21H2
InChIKeyBMZVFGCTQGXTLC-UHFFFAOYSA-N
XLogP4.63
TPSA45.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.62
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[4-[5-[[1-(4-fluorophenyl)piperidin-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile with MolForge

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Related Compounds

4-[[4-[5-[(3R)-3-(4-fluorophenoxy)pyrrolidine-1-carbonyl]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile
CID 141328462
4-[[(3S)-3-[5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-2H-pyridin-1-yl]pyrrolidin-1-yl]methyl]benzonitrile
CID 141275935
(4-fluorophenyl)-[1-[1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2H-pyridine-5-carbonyl]piperidin-4-yl]methanone
CID 141328383
3-[(1-benzylpiperidin-4-yl)amino]-4-fluorobenzonitrile
CID 21015031
4-[(4-thiomorpholin-4-ylpiperidin-1-yl)methyl]benzonitrile
CID 171335414
(Z)-3-[(1-benzylpiperidin-4-yl)amino]-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]prop-2-enenitrile
CID 108855035
1-[(4-cyanophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride
CID 71432530
4-fluorobenzonitrile;4-piperidin-1-ylbenzonitrile
CID 158355573
N-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 7346266
3-[[1-(4-cyanophenyl)piperidin-4-yl]amino]pyrazine-2-carbonitrile
CID 133284387
1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea
CID 86880901
N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 5184956

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[5-[[1-(4-fluorophenyl)piperidin-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[4-[5-[[1-(4-fluorophenyl)piperidin-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile (CID 141328362) is 4-[[4-[5-[[1-(4-fluorophenyl)piperidin-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[4-[5-[[1-(4-fluorophenyl)piperidin-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[4-[5-[[1-(4-fluorophenyl)piperidin-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile is N#Cc1ccc(CN2CCC(N3C=C(NC4CCN(c5ccc(F)cc5)CC4)C=CC3)CC2)cc1.
What is the InChIKey of 4-[[4-[5-[[1-(4-fluorophenyl)piperidin-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile?
The InChIKey is BMZVFGCTQGXTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN5/c30-25-7-9-28(10-8-25)34-18-11-26(12-19-34)32-27-2-1-15-35(22-27)29-13-16-33(17-14-29)21-24-5-3-23(20-31)4-6-24/h1-10,22,26,29,32H,11-19,21H2.
What are the key properties of 4-[[4-[5-[[1-(4-fluorophenyl)piperidin-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile?
4-[[4-[5-[[1-(4-fluorophenyl)piperidin-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile has a molecular weight of 471.62 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[5-[[1-(4-fluorophenyl)piperidin-4-yl]amino]-2H-pyridin-1-yl]piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 141328362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).