N-[(2,5-dimethylthiophen-3-yl)methyl]-1,2-dimethylpiperidin-4-amine

C14H24N2S — CID 80711280

IUPACN-[(2,5-dimethylthiophen-3-yl)methyl]-1,2-dimethylpiperidin-4-amine
SMILESCc1cc(CNC2CCN(C)C(C)C2)c(C)s1
InChIInChI=1S/C14H24N2S/c1-10-7-14(5-6-16(10)4)15-9-13-8-11(2)17-12(13)3/h8,10,14-15H,5-7,9H2,1-4H3
InChIKeyYWZZZVUZRIRHNS-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.94
Rot. Bonds3

About N-[(2,5-dimethylthiophen-3-yl)methyl]-1,2-dimethylpiperidin-4-amine

N-[(2,5-dimethylthiophen-3-yl)methyl]-1,2-dimethylpiperidin-4-amine (PubChem CID 80711280) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-[(2,5-dimethylthiophen-3-yl)methyl]-1,2-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylthiophen-3-yl)methyl]-1,2-dimethylpiperidin-4-amine
PubChem CID80711280
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-[(2,5-dimethylthiophen-3-yl)methyl]-1,2-dimethylpiperidin-4-amine
SMILESCc1cc(CNC2CCN(C)C(C)C2)c(C)s1
InChIInChI=1S/C14H24N2S/c1-10-7-14(5-6-16(10)4)15-9-13-8-11(2)17-12(13)3/h8,10,14-15H,5-7,9H2,1-4H3
InChIKeyYWZZZVUZRIRHNS-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 103786250
1,2-dimethyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
CID 79032126
4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
CID 79032189
1,2-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-amine
CID 79032377
4-chloro-2-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]phenol
CID 79032255
4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 103260585
N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dimethylpiperidin-4-amine
CID 81300764
N-[(3-bromophenyl)methyl]-1,2-dimethylpiperidin-4-amine
CID 79032191
N-[(2,5-dimethylthiophen-3-yl)methyl]-2,2-dimethyloxan-4-amine
CID 115563621
4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzonitrile
CID 79032302
N-[(2-methoxy-4-pyridinyl)methyl]-1,2-dimethylpiperidin-4-amine
CID 81297222
N-[(3-bromo-2,6-difluorophenyl)methyl]-1,2-dimethylpiperidin-4-amine
CID 106263639

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-1,2-dimethylpiperidin-4-amine?
The IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-1,2-dimethylpiperidin-4-amine (CID 80711280) is N-[(2,5-dimethylthiophen-3-yl)methyl]-1,2-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(2,5-dimethylthiophen-3-yl)methyl]-1,2-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(2,5-dimethylthiophen-3-yl)methyl]-1,2-dimethylpiperidin-4-amine is Cc1cc(CNC2CCN(C)C(C)C2)c(C)s1.
What is the InChIKey of N-[(2,5-dimethylthiophen-3-yl)methyl]-1,2-dimethylpiperidin-4-amine?
The InChIKey is YWZZZVUZRIRHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-10-7-14(5-6-16(10)4)15-9-13-8-11(2)17-12(13)3/h8,10,14-15H,5-7,9H2,1-4H3.
What are the key properties of N-[(2,5-dimethylthiophen-3-yl)methyl]-1,2-dimethylpiperidin-4-amine?
N-[(2,5-dimethylthiophen-3-yl)methyl]-1,2-dimethylpiperidin-4-amine has a molecular weight of 252.43 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylthiophen-3-yl)methyl]-1,2-dimethylpiperidin-4-amine is sourced from PubChem (CID 80711280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).