N,N-dimethyl-1-(3-methylthiophen-2-yl)-1-piperidin-3-ylmethanamine

C13H22N2S — CID 116906601

IUPACN,N-dimethyl-1-(3-methylthiophen-2-yl)-1-piperidin-3-ylmethanamine
SMILESCc1ccsc1C(C1CCCNC1)N(C)C
InChIInChI=1S/C13H22N2S/c1-10-6-8-16-13(10)12(15(2)3)11-5-4-7-14-9-11/h6,8,11-12,14H,4-5,7,9H2,1-3H3
InChIKeyRESVISATKDLBFL-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.66
Rot. Bonds3

About N,N-dimethyl-1-(3-methylthiophen-2-yl)-1-piperidin-3-ylmethanamine

N,N-dimethyl-1-(3-methylthiophen-2-yl)-1-piperidin-3-ylmethanamine (PubChem CID 116906601) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N,N-dimethyl-1-(3-methylthiophen-2-yl)-1-piperidin-3-ylmethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(3-methylthiophen-2-yl)-1-piperidin-3-ylmethanamine
PubChem CID116906601
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN,N-dimethyl-1-(3-methylthiophen-2-yl)-1-piperidin-3-ylmethanamine
SMILESCc1ccsc1C(C1CCCNC1)N(C)C
InChIInChI=1S/C13H22N2S/c1-10-6-8-16-13(10)12(15(2)3)11-5-4-7-14-9-11/h6,8,11-12,14H,4-5,7,9H2,1-3H3
InChIKeyRESVISATKDLBFL-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-methylthiophen-2-yl)ethyl]pyrrolidine
CID 112715433
1-(4-bromophenyl)-N,N-dimethyl-1-piperidin-3-ylmethanamine
CID 116906547
1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine
CID 116936426
N-methyl-1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine
CID 116951777
3-[(3-bromothiophen-2-yl)-fluoromethyl]piperidine
CID 112565383
(3R)-3-(3-methylthiophen-2-yl)piperidine
CID 93478534
N,3-dimethyl-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 66570141
2-[fluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine
CID 106640377
1-(3-methylthiophen-2-yl)-2-piperidin-4-ylethanamine
CID 116936534
(1R)-N,N-dimethyl-1-(3-methylthiophen-2-yl)-N'-(thian-4-yl)ethane-1,2-diamine
CID 95122078
N,N-dimethyl-4-(1-piperidin-3-ylethyl)aniline
CID 83911736
N-[1-(3-methylthiophen-2-yl)ethyl]cyclopentanamine
CID 63992992

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3-methylthiophen-2-yl)-1-piperidin-3-ylmethanamine?
The IUPAC name of N,N-dimethyl-1-(3-methylthiophen-2-yl)-1-piperidin-3-ylmethanamine (CID 116906601) is N,N-dimethyl-1-(3-methylthiophen-2-yl)-1-piperidin-3-ylmethanamine.
What is the SMILES notation for N,N-dimethyl-1-(3-methylthiophen-2-yl)-1-piperidin-3-ylmethanamine?
The canonical SMILES for N,N-dimethyl-1-(3-methylthiophen-2-yl)-1-piperidin-3-ylmethanamine is Cc1ccsc1C(C1CCCNC1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-(3-methylthiophen-2-yl)-1-piperidin-3-ylmethanamine?
The InChIKey is RESVISATKDLBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10-6-8-16-13(10)12(15(2)3)11-5-4-7-14-9-11/h6,8,11-12,14H,4-5,7,9H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(3-methylthiophen-2-yl)-1-piperidin-3-ylmethanamine?
N,N-dimethyl-1-(3-methylthiophen-2-yl)-1-piperidin-3-ylmethanamine has a molecular weight of 238.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3-methylthiophen-2-yl)-1-piperidin-3-ylmethanamine is sourced from PubChem (CID 116906601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).