N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidin-4-amine

C15H24N2S — CID 763356

IUPACN,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidin-4-amine
SMILESCSc1ccc(CN(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C15H24N2S/c1-16-10-8-14(9-11-16)17(2)12-13-4-6-15(18-3)7-5-13/h4-7,14H,8-12H2,1-3H3
InChIKeyNUFROYVMSKPINI-UHFFFAOYSA-N
MW264.44 g/mol
LogP2.93
Rot. Bonds4

About N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidin-4-amine

N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidin-4-amine (PubChem CID 763356) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidin-4-amine
PubChem CID763356
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC NameN,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidin-4-amine
SMILESCSc1ccc(CN(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C15H24N2S/c1-16-10-8-14(9-11-16)17(2)12-13-4-6-15(18-3)7-5-13/h4-7,14H,8-12H2,1-3H3
InChIKeyNUFROYVMSKPINI-UHFFFAOYSA-N
XLogP2.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-[4-(methylsulfanyl)phenyl]propan-2-amine
CID 46882974
1-Methyl-4-[(4-methylsulfanylphenyl)methyl]-1,4-diazepane
CID 763396
1-[4-(Methylthio)benzyl]azepane
CID 791371
4-Benzyl-1-[4-(methylthio)benzyl]piperidine
CID 1377005
4-[4-(Methylthio)benzyl]thiomorpholine
CID 1377280
Azepan-1-yl[4-(methylsulfanyl)phenyl]methanethione
CID 7333697
[4-(Methylsulfanyl)phenyl](pyrrolidin-1-yl)methanethione
CID 7333695
1-Benzyl-4-{[4-(methylthio)phenyl]carbonothioyl}piperazine
CID 971920
(4-Benzhydrylpiperazin-1-yl)-(4-methylsulfanylphenyl)methanethione
CID 2209505
4,4-Difluoro-1-[(4-methylsulfanylphenyl)methyl]-3-(2-phenylethyl)piperidine
CID 134146155
2-[(4-Methyl-1-piperazinyl)methyl]phenyl phenyl sulfide
CID 216726
1-Ethyl-4-{[4-(methylthio)phenyl]carbonothioyl}piperazine
CID 963029

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidin-4-amine?
The IUPAC name of N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidin-4-amine (CID 763356) is N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidin-4-amine is CSc1ccc(CN(C)C2CCN(C)CC2)cc1.
What is the InChIKey of N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidin-4-amine?
The InChIKey is NUFROYVMSKPINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-16-10-8-14(9-11-16)17(2)12-13-4-6-15(18-3)7-5-13/h4-7,14H,8-12H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidin-4-amine?
N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidin-4-amine has a molecular weight of 264.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 763356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).