N-(1-tert-butylpiperidin-4-yl)-1-(1-methylsulfanylethyl)piperidin-4-amine

C17H35N3S — CID 146526516

IUPACN-(1-tert-butylpiperidin-4-yl)-1-(1-methylsulfanylethyl)piperidin-4-amine
SMILESCSC(C)N1CCC(NC2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H35N3S/c1-14(21-5)19-10-6-15(7-11-19)18-16-8-12-20(13-9-16)17(2,3)4/h14-16,18H,6-13H2,1-5H3
InChIKeyPHNPBLKERUNSMH-UHFFFAOYSA-N
MW313.55 g/mol
LogP3.01
Rot. Bonds4

About N-(1-tert-butylpiperidin-4-yl)-1-(1-methylsulfanylethyl)piperidin-4-amine

N-(1-tert-butylpiperidin-4-yl)-1-(1-methylsulfanylethyl)piperidin-4-amine (PubChem CID 146526516) has the molecular formula C17H35N3S and a molecular weight of 313.55 g/mol. Its IUPAC name is N-(1-tert-butylpiperidin-4-yl)-1-(1-methylsulfanylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1-tert-butylpiperidin-4-yl)-1-(1-methylsulfanylethyl)piperidin-4-amine
PubChem CID146526516
Molecular FormulaC17H35N3S
Molecular Weight313.55 g/mol
Exact Mass313.26
IUPAC NameN-(1-tert-butylpiperidin-4-yl)-1-(1-methylsulfanylethyl)piperidin-4-amine
SMILESCSC(C)N1CCC(NC2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H35N3S/c1-14(21-5)19-10-6-15(7-11-19)18-16-8-12-20(13-9-16)17(2,3)4/h14-16,18H,6-13H2,1-5H3
InChIKeyPHNPBLKERUNSMH-UHFFFAOYSA-N
XLogP3.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.55
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-N-cyclooctylpiperidin-4-amine
CID 54866557
1-tert-butyl-N-spiro[4.5]decan-8-ylpiperidin-4-amine
CID 114817492
1-tert-butyl-N-(4,4-dimethylcycloheptyl)piperidin-4-amine
CID 65083690
(1-tert-butylpiperidin-4-yl)hydrazine
CID 21097250
1-tert-butyl-N-(1,1-difluoropropan-2-yl)piperidin-4-amine
CID 102869208
(2R)-1-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol
CID 103906834
N-but-3-en-2-yl-1-tert-butylpiperidin-4-amine
CID 115727975
1-tert-butyl-N-(2-methylcyclopentyl)piperidin-4-amine
CID 65045786
1-tert-butyl-N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)piperidin-4-amine
CID 115727495
1-tert-butyl-4-methylsulfanylpiperidine
CID 68756349
2-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylpentanamide
CID 54863095
1-propan-2-yl-N-(thietan-3-yl)piperidin-4-amine
CID 126987499

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpiperidin-4-yl)-1-(1-methylsulfanylethyl)piperidin-4-amine?
The IUPAC name of N-(1-tert-butylpiperidin-4-yl)-1-(1-methylsulfanylethyl)piperidin-4-amine (CID 146526516) is N-(1-tert-butylpiperidin-4-yl)-1-(1-methylsulfanylethyl)piperidin-4-amine.
What is the SMILES notation for N-(1-tert-butylpiperidin-4-yl)-1-(1-methylsulfanylethyl)piperidin-4-amine?
The canonical SMILES for N-(1-tert-butylpiperidin-4-yl)-1-(1-methylsulfanylethyl)piperidin-4-amine is CSC(C)N1CCC(NC2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of N-(1-tert-butylpiperidin-4-yl)-1-(1-methylsulfanylethyl)piperidin-4-amine?
The InChIKey is PHNPBLKERUNSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3S/c1-14(21-5)19-10-6-15(7-11-19)18-16-8-12-20(13-9-16)17(2,3)4/h14-16,18H,6-13H2,1-5H3.
What are the key properties of N-(1-tert-butylpiperidin-4-yl)-1-(1-methylsulfanylethyl)piperidin-4-amine?
N-(1-tert-butylpiperidin-4-yl)-1-(1-methylsulfanylethyl)piperidin-4-amine has a molecular weight of 313.55 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpiperidin-4-yl)-1-(1-methylsulfanylethyl)piperidin-4-amine is sourced from PubChem (CID 146526516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).