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

C16H26N2S — CID 115304077

IUPACN,4-dimethyl-1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine
SMILESCNC1(C)CCN(C(C)c2ccc(SC)cc2)CC1
InChIInChI=1S/C16H26N2S/c1-13(14-5-7-15(19-4)8-6-14)18-11-9-16(2,17-3)10-12-18/h5-8,13,17H,9-12H2,1-4H3
InChIKeyWGCDVVSALGUQOM-UHFFFAOYSA-N
MW278.47 g/mol
LogP3.54
Rot. Bonds4

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

N,4-dimethyl-1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine (PubChem CID 115304077) has the molecular formula C16H26N2S and a molecular weight of 278.47 g/mol. Its IUPAC name is N,4-dimethyl-1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN,4-dimethyl-1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine
PubChem CID115304077
Molecular FormulaC16H26N2S
Molecular Weight278.47 g/mol
Exact Mass278.18
IUPAC NameN,4-dimethyl-1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine
SMILESCNC1(C)CCN(C(C)c2ccc(SC)cc2)CC1
InChIInChI=1S/C16H26N2S/c1-13(14-5-7-15(19-4)8-6-14)18-11-9-16(2,17-3)10-12-18/h5-8,13,17H,9-12H2,1-4H3
InChIKeyWGCDVVSALGUQOM-UHFFFAOYSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine?
The IUPAC name of N,4-dimethyl-1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine (CID 115304077) is N,4-dimethyl-1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for N,4-dimethyl-1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine?
The canonical SMILES for N,4-dimethyl-1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine is CNC1(C)CCN(C(C)c2ccc(SC)cc2)CC1.
What is the InChIKey of N,4-dimethyl-1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine?
The InChIKey is WGCDVVSALGUQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-13(14-5-7-15(19-4)8-6-14)18-11-9-16(2,17-3)10-12-18/h5-8,13,17H,9-12H2,1-4H3.
What are the key properties of N,4-dimethyl-1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine?
N,4-dimethyl-1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine has a molecular weight of 278.47 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 115304077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).