N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine

C13H22N2S — CID 763113

IUPACN,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine
SMILESCc1ccsc1CN(C)C1CCN(C)CC1
InChIInChI=1S/C13H22N2S/c1-11-6-9-16-13(11)10-15(3)12-4-7-14(2)8-5-12/h6,9,12H,4-5,7-8,10H2,1-3H3
InChIKeyCPAMYMZJEGQTJO-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.58
Rot. Bonds3

About N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine

N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine (PubChem CID 763113) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine
PubChem CID763113
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine
SMILESCc1ccsc1CN(C)C1CCN(C)CC1
InChIInChI=1S/C13H22N2S/c1-11-6-9-16-13(11)10-15(3)12-4-7-14(2)8-5-12/h6,9,12H,4-5,7-8,10H2,1-3H3
InChIKeyCPAMYMZJEGQTJO-UHFFFAOYSA-N
XLogP2.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tenocyclidine
CID 62751
7-methyl-4H,5H,6H,7H-thieno(2,3-c)pyridine
CID 14548169
4-[[5-(Thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]thiomorpholine
CID 155558013
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
[1-(Thiophen-2-ylmethyl)piperidin-4-yl]methanamine
CID 23004745
4-ethyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485296
Tenocyclidine hydrochloride
CID 16640802
7-Isopropyl-6-methyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine
CID 14548171
6-Allyl-7-isopropyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine
CID 14548173
N-(2-phenylethyl)-N-(thiophen-3-ylmethyl)piperidin-4-amine
CID 166630597
N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 166634323
1-[1-[(2-iodophenyl)methyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 168271556

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine?
The IUPAC name of N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine (CID 763113) is N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine is Cc1ccsc1CN(C)C1CCN(C)CC1.
What is the InChIKey of N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine?
The InChIKey is CPAMYMZJEGQTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-11-6-9-16-13(11)10-15(3)12-4-7-14(2)8-5-12/h6,9,12H,4-5,7-8,10H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine?
N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine has a molecular weight of 238.40 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 763113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).