N-[(1-methylpiperidin-4-yl)methyl]-4-methylsulfanylaniline

C14H22N2S — CID 62655952

IUPACN-[(1-methylpiperidin-4-yl)methyl]-4-methylsulfanylaniline
SMILESCSc1ccc(NCC2CCN(C)CC2)cc1
InChIInChI=1S/C14H22N2S/c1-16-9-7-12(8-10-16)11-15-13-3-5-14(17-2)6-4-13/h3-6,12,15H,7-11H2,1-2H3
InChIKeyKILNTUCUVPTAMU-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.16
Rot. Bonds4

About N-[(1-methylpiperidin-4-yl)methyl]-4-methylsulfanylaniline

N-[(1-methylpiperidin-4-yl)methyl]-4-methylsulfanylaniline (PubChem CID 62655952) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-4-methylsulfanylaniline.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-4-methylsulfanylaniline
PubChem CID62655952
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-4-methylsulfanylaniline
SMILESCSc1ccc(NCC2CCN(C)CC2)cc1
InChIInChI=1S/C14H22N2S/c1-16-9-7-12(8-10-16)11-15-13-3-5-14(17-2)6-4-13/h3-6,12,15H,7-11H2,1-2H3
InChIKeyKILNTUCUVPTAMU-UHFFFAOYSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentylsulfanyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62658840
4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62654126
methyl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate
CID 62654527
4-butan-2-yl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62655648
N-[(1-methylpiperidin-4-yl)methyl]-4-(triazol-2-yl)aniline
CID 62659052
N-[(1-methylpiperidin-4-yl)methyl]-4,6-bis(methylsulfanyl)-1,3,5-triazin-2-amine
CID 167281211
propan-2-yl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate
CID 62655829
2-N,2-N-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine
CID 55100280
2,6-difluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62655067
N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine
CID 60857116
1-ethyl-5-[(1-methylpiperidin-4-yl)methylamino]pyridin-2-one
CID 62658675
2-fluoro-4-[(1-methylpiperidin-4-yl)methylamino]benzenecarbothioamide
CID 115368186

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-4-methylsulfanylaniline?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-4-methylsulfanylaniline (CID 62655952) is N-[(1-methylpiperidin-4-yl)methyl]-4-methylsulfanylaniline.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-4-methylsulfanylaniline?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-4-methylsulfanylaniline is CSc1ccc(NCC2CCN(C)CC2)cc1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-4-methylsulfanylaniline?
The InChIKey is KILNTUCUVPTAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-16-9-7-12(8-10-16)11-15-13-3-5-14(17-2)6-4-13/h3-6,12,15H,7-11H2,1-2H3.
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-4-methylsulfanylaniline?
N-[(1-methylpiperidin-4-yl)methyl]-4-methylsulfanylaniline has a molecular weight of 250.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-4-methylsulfanylaniline is sourced from PubChem (CID 62655952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).