N-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride

C12H22Cl2N2S — CID 69497458

IUPACN-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
SMILESCCN(Cc1cccs1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C12H20N2S.2ClH/c1-2-14(10-12-4-3-9-15-12)11-5-7-13-8-6-11;;/h3-4,9,11,13H,2,5-8,10H2,1H3;2*1H
InChIKeyGTRMLFKJKCUOIW-UHFFFAOYSA-N
MW297.29 g/mol
LogP3.17
Rot. Bonds4

About N-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride

N-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride (PubChem CID 69497458) has the molecular formula C12H22Cl2N2S and a molecular weight of 297.29 g/mol. Its IUPAC name is N-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
PubChem CID69497458
Molecular FormulaC12H22Cl2N2S
Molecular Weight297.29 g/mol
Exact Mass296.09
IUPAC NameN-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride
SMILESCCN(Cc1cccs1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C12H20N2S.2ClH/c1-2-14(10-12-4-3-9-15-12)11-5-7-13-8-6-11;;/h3-4,9,11,13H,2,5-8,10H2,1H3;2*1H
InChIKeyGTRMLFKJKCUOIW-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(thiophen-2-ylmethyl)cyclohexanamine
CID 69253511
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156
4-[ethyl(thiophen-2-ylmethyl)amino]cyclohexan-1-one
CID 114762087
4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 114762984
N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 62327409
N-(2-methyl-2-piperazin-1-ylpropyl)-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 80551288
N-ethyl-N-(2-thiophen-2-ylethyl)cyclohexanamine
CID 150257047
N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide;hydrochloride
CID 119442471
2-[piperidin-4-yl(propyl)amino]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119933163
N-methyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119267119
N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119271762
1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79811729

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride?
The IUPAC name of N-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride (CID 69497458) is N-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride.
What is the SMILES notation for N-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride?
The canonical SMILES for N-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride is CCN(Cc1cccs1)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride?
The InChIKey is GTRMLFKJKCUOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S.2ClH/c1-2-14(10-12-4-3-9-15-12)11-5-7-13-8-6-11;;/h3-4,9,11,13H,2,5-8,10H2,1H3;2*1H.
What are the key properties of N-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride?
N-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride has a molecular weight of 297.29 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 69497458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).