N-(piperidin-3-ylmethyl)-1-thiophen-2-ylethanamine;hydrochloride

C12H21ClN2S — CID 71637837

IUPACN-(piperidin-3-ylmethyl)-1-thiophen-2-ylethanamine;hydrochloride
SMILESCC(NCC1CCCNC1)c1cccs1.Cl
InChIInChI=1S/C12H20N2S.ClH/c1-10(12-5-3-7-15-12)14-9-11-4-2-6-13-8-11;/h3,5,7,10-11,13-14H,2,4,6,8-9H2,1H3;1H
InChIKeyPXGWRFIMSHIBPP-UHFFFAOYSA-N
MW260.83 g/mol
LogP2.82
Rot. Bonds4

About N-(piperidin-3-ylmethyl)-1-thiophen-2-ylethanamine;hydrochloride

N-(piperidin-3-ylmethyl)-1-thiophen-2-ylethanamine;hydrochloride (PubChem CID 71637837) has the molecular formula C12H21ClN2S and a molecular weight of 260.83 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-1-thiophen-2-ylethanamine;hydrochloride.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-1-thiophen-2-ylethanamine;hydrochloride
PubChem CID71637837
Molecular FormulaC12H21ClN2S
Molecular Weight260.83 g/mol
Exact Mass260.11
IUPAC NameN-(piperidin-3-ylmethyl)-1-thiophen-2-ylethanamine;hydrochloride
SMILESCC(NCC1CCCNC1)c1cccs1.Cl
InChIInChI=1S/C12H20N2S.ClH/c1-10(12-5-3-7-15-12)14-9-11-4-2-6-13-8-11;/h3,5,7,10-11,13-14H,2,4,6,8-9H2,1H3;1H
InChIKeyPXGWRFIMSHIBPP-UHFFFAOYSA-N
XLogP2.82
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.83
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-(piperidin-3-ylmethyl)-1-thiophen-2-ylmethanamine
CID 80554170
(3R)-N-(1-thiophen-2-ylethyl)piperidin-3-amine;hydrochloride
CID 71637623
N-[(1R)-1-thiophen-2-ylethyl]piperidin-3-amine
CID 81398343
N-(pyrrolidin-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 71637827
(1R)-1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 81349439
N-(piperidin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 80554145
N-methyl-2-piperidin-3-yl-N-(1-thiophen-2-ylethyl)acetamide
CID 62674552
3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride
CID 119687075
1-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80553557
2-piperidin-3-yl-N-(1-thiophen-2-ylpropyl)acetamide
CID 62676887
N-(cyclohexylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43225929
N-[(1,1-dioxothiolan-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 61057423

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-1-thiophen-2-ylethanamine;hydrochloride?
The IUPAC name of N-(piperidin-3-ylmethyl)-1-thiophen-2-ylethanamine;hydrochloride (CID 71637837) is N-(piperidin-3-ylmethyl)-1-thiophen-2-ylethanamine;hydrochloride.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-1-thiophen-2-ylethanamine;hydrochloride?
The canonical SMILES for N-(piperidin-3-ylmethyl)-1-thiophen-2-ylethanamine;hydrochloride is CC(NCC1CCCNC1)c1cccs1.Cl.
What is the InChIKey of N-(piperidin-3-ylmethyl)-1-thiophen-2-ylethanamine;hydrochloride?
The InChIKey is PXGWRFIMSHIBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S.ClH/c1-10(12-5-3-7-15-12)14-9-11-4-2-6-13-8-11;/h3,5,7,10-11,13-14H,2,4,6,8-9H2,1H3;1H.
What are the key properties of N-(piperidin-3-ylmethyl)-1-thiophen-2-ylethanamine;hydrochloride?
N-(piperidin-3-ylmethyl)-1-thiophen-2-ylethanamine;hydrochloride has a molecular weight of 260.83 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-1-thiophen-2-ylethanamine;hydrochloride is sourced from PubChem (CID 71637837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).