4-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]butan-1-amine

C21H27FN2S — CID 22622561

IUPAC4-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]butan-1-amine
SMILESCc1csc(C(=C2CCN(CCCCN)CC2)c2ccc(F)cc2)c1
InChIInChI=1S/C21H27FN2S/c1-16-14-20(25-15-16)21(17-4-6-19(22)7-5-17)18-8-12-24(13-9-18)11-3-2-10-23/h4-7,14-15H,2-3,8-13,23H2,1H3
InChIKeyGQSQBPSBFQJCAR-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.83
Rot. Bonds6

About 4-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]butan-1-amine

4-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]butan-1-amine (PubChem CID 22622561) has the molecular formula C21H27FN2S and a molecular weight of 358.53 g/mol. Its IUPAC name is 4-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]butan-1-amine
PubChem CID22622561
Molecular FormulaC21H27FN2S
Molecular Weight358.53 g/mol
Exact Mass358.19
IUPAC Name4-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]butan-1-amine
SMILESCc1csc(C(=C2CCN(CCCCN)CC2)c2ccc(F)cc2)c1
InChIInChI=1S/C21H27FN2S/c1-16-14-20(25-15-16)21(17-4-6-19(22)7-5-17)18-8-12-24(13-9-18)11-3-2-10-23/h4-7,14-15H,2-3,8-13,23H2,1H3
InChIKeyGQSQBPSBFQJCAR-UHFFFAOYSA-N
XLogP4.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]ethyl]-N,4-dimethylbenzamide
CID 22622593
4-[4-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]butyl]-7-methyl-2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-one
CID 19881077
4-[(4-fluorophenyl)-phenylmethylidene]-1-propylpiperidine
CID 123768930
4-[bis(4-methylphenyl)methylidene]-1-(3-chloropropyl)piperidine
CID 21478599
6-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-7-methyl-[1,3]thiazolo[3,2-a]pyridin-5-one
CID 58060679
[4-(4-aminobutyl)piperazin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 63209284
N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide
CID 10598845
5-[4-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]butyl]-2-methyl-7,8-dihydro-6H-thieno[3,2-c]azepin-4-one;but-2-enedioic acid
CID 67755562
ethyl 2-[4-[3-[4-[(3,4-difluorophenyl)-(4-fluorophenyl)methylidene]piperidin-1-yl]propoxy]-3-methoxyphenyl]acetate
CID 54481269
4-[3-[4-[1-(4-fluorophenyl)ethylidene]piperidin-1-yl]propyl]benzene-1,2-diamine
CID 142881597
4-[3-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]propyl]-2-nitroaniline
CID 142881602
[4-(4-aminobutyl)piperazin-1-yl]-(3,5-difluorophenyl)methanone
CID 43251809

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]butan-1-amine?
The IUPAC name of 4-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]butan-1-amine (CID 22622561) is 4-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]butan-1-amine.
What is the SMILES notation for 4-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]butan-1-amine?
The canonical SMILES for 4-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]butan-1-amine is Cc1csc(C(=C2CCN(CCCCN)CC2)c2ccc(F)cc2)c1.
What is the InChIKey of 4-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]butan-1-amine?
The InChIKey is GQSQBPSBFQJCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2S/c1-16-14-20(25-15-16)21(17-4-6-19(22)7-5-17)18-8-12-24(13-9-18)11-3-2-10-23/h4-7,14-15H,2-3,8-13,23H2,1H3.
What are the key properties of 4-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]butan-1-amine?
4-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]butan-1-amine has a molecular weight of 358.53 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-fluorophenyl)-(4-methylthiophen-2-yl)methylidene]piperidin-1-yl]butan-1-amine is sourced from PubChem (CID 22622561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).