1-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;hydrochloride

C13H21ClN2S — CID 115616309

IUPAC1-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;hydrochloride
SMILESC=CCN1CCC(NCc2cccs2)CC1.Cl
InChIInChI=1S/C13H20N2S.ClH/c1-2-7-15-8-5-12(6-9-15)14-11-13-4-3-10-16-13;/h2-4,10,12,14H,1,5-9,11H2;1H
InChIKeyLSJIKKADFNRTAI-UHFFFAOYSA-N
MW272.84 g/mol
LogP2.91
Rot. Bonds5

About 1-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;hydrochloride

1-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;hydrochloride (PubChem CID 115616309) has the molecular formula C13H21ClN2S and a molecular weight of 272.84 g/mol. Its IUPAC name is 1-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;hydrochloride
PubChem CID115616309
Molecular FormulaC13H21ClN2S
Molecular Weight272.84 g/mol
Exact Mass272.11
IUPAC Name1-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;hydrochloride
SMILESC=CCN1CCC(NCc2cccs2)CC1.Cl
InChIInChI=1S/C13H20N2S.ClH/c1-2-7-15-8-5-12(6-9-15)14-11-13-4-3-10-16-13;/h2-4,10,12,14H,1,5-9,11H2;1H
InChIKeyLSJIKKADFNRTAI-UHFFFAOYSA-N
XLogP2.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.84
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylbut-2-enyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 43769320
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 4846950
1-(cyclopropylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 115618481
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
4-(thiophen-2-ylmethylamino)cyclohexan-1-ol
CID 43178546
4-fluoro-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 130678026
cyclopropyl-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]methanone
CID 43434770
N-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 60861984
tert-butyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate
CID 43652164
cis-(1R,3S)-3-methyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 95376419
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-3-amine
CID 43327642
N-(1H-imidazol-5-ylmethyl)-1-prop-2-enylpiperidin-4-amine
CID 115616302

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;hydrochloride?
The IUPAC name of 1-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;hydrochloride (CID 115616309) is 1-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;hydrochloride is C=CCN1CCC(NCc2cccs2)CC1.Cl.
What is the InChIKey of 1-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;hydrochloride?
The InChIKey is LSJIKKADFNRTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S.ClH/c1-2-7-15-8-5-12(6-9-15)14-11-13-4-3-10-16-13;/h2-4,10,12,14H,1,5-9,11H2;1H.
What are the key properties of 1-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;hydrochloride?
1-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;hydrochloride has a molecular weight of 272.84 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-N-(thiophen-2-ylmethyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 115616309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).