N,2,2-trimethyl-N-(4-methylsulfanylphenyl)piperidin-4-amine

C15H24N2S — CID 115145436

IUPACN,2,2-trimethyl-N-(4-methylsulfanylphenyl)piperidin-4-amine
SMILESCSc1ccc(N(C)C2CCNC(C)(C)C2)cc1
InChIInChI=1S/C15H24N2S/c1-15(2)11-13(9-10-16-15)17(3)12-5-7-14(18-4)8-6-12/h5-8,13,16H,9-11H2,1-4H3
InChIKeyOWRYZLSVQDSMTC-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.38
Rot. Bonds3

About N,2,2-trimethyl-N-(4-methylsulfanylphenyl)piperidin-4-amine

N,2,2-trimethyl-N-(4-methylsulfanylphenyl)piperidin-4-amine (PubChem CID 115145436) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is N,2,2-trimethyl-N-(4-methylsulfanylphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-N-(4-methylsulfanylphenyl)piperidin-4-amine
PubChem CID115145436
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC NameN,2,2-trimethyl-N-(4-methylsulfanylphenyl)piperidin-4-amine
SMILESCSc1ccc(N(C)C2CCNC(C)(C)C2)cc1
InChIInChI=1S/C15H24N2S/c1-15(2)11-13(9-10-16-15)17(3)12-5-7-14(18-4)8-6-12/h5-8,13,16H,9-11H2,1-4H3
InChIKeyOWRYZLSVQDSMTC-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,2-trimethyl-N-phenylpiperidin-4-amine;hydrochloride
CID 156708950
N,2,2-trimethyl-N-(3-methylphenyl)piperidin-4-amine
CID 115145443
N-(2-bromophenyl)-N,2,2-trimethylpiperidin-4-amine
CID 115145458
N,2,2-trimethyl-N-(3-methylthiophen-2-yl)piperidin-4-amine
CID 115145465
1-(2,2-dimethylpiperidin-4-yl)-1,2,2-trimethylhydrazine
CID 19609586
N,2,2-trimethyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 115145554
N-[(4-chlorophenyl)methyl]-N,2,2-trimethylpiperidin-4-amine
CID 115145533
N,2,2-trimethyl-N-propan-2-ylpiperidin-4-amine
CID 115145402
N-cyclopentyl-N,2,2-trimethylpiperidin-4-amine
CID 115145455
N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]piperidin-4-amine
CID 115145619
N-[(2,4-dimethylphenyl)methyl]-N,2,2-trimethylpiperidin-4-amine
CID 115145537
N,2,2-trimethyl-N-(oxan-4-yl)piperidin-4-amine
CID 115145457

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-(4-methylsulfanylphenyl)piperidin-4-amine?
The IUPAC name of N,2,2-trimethyl-N-(4-methylsulfanylphenyl)piperidin-4-amine (CID 115145436) is N,2,2-trimethyl-N-(4-methylsulfanylphenyl)piperidin-4-amine.
What is the SMILES notation for N,2,2-trimethyl-N-(4-methylsulfanylphenyl)piperidin-4-amine?
The canonical SMILES for N,2,2-trimethyl-N-(4-methylsulfanylphenyl)piperidin-4-amine is CSc1ccc(N(C)C2CCNC(C)(C)C2)cc1.
What is the InChIKey of N,2,2-trimethyl-N-(4-methylsulfanylphenyl)piperidin-4-amine?
The InChIKey is OWRYZLSVQDSMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-15(2)11-13(9-10-16-15)17(3)12-5-7-14(18-4)8-6-12/h5-8,13,16H,9-11H2,1-4H3.
What are the key properties of N,2,2-trimethyl-N-(4-methylsulfanylphenyl)piperidin-4-amine?
N,2,2-trimethyl-N-(4-methylsulfanylphenyl)piperidin-4-amine has a molecular weight of 264.44 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-(4-methylsulfanylphenyl)piperidin-4-amine is sourced from PubChem (CID 115145436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).