3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine

C13H22N2S — CID 28657357

IUPAC3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESc1csc(CNCCCN2CCCCC2)c1
InChIInChI=1S/C13H22N2S/c1-2-8-15(9-3-1)10-5-7-14-12-13-6-4-11-16-13/h4,6,11,14H,1-3,5,7-10,12H2
InChIKeyZHGNXNYMMQBMPE-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.71
Rot. Bonds6

About 3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine

3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine (PubChem CID 28657357) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine
PubChem CID28657357
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine
SMILESc1csc(CNCCCN2CCCCC2)c1
InChIInChI=1S/C13H22N2S/c1-2-8-15(9-3-1)10-5-7-14-12-13-6-4-11-16-13/h4,6,11,14H,1-3,5,7-10,12H2
InChIKeyZHGNXNYMMQBMPE-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-pyrrolidin-1-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
CID 43433717
N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylethanamine
CID 60695335
N-[(3-bromothiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 115379805
N-[(4-chlorothiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 79420468
N-[(5-bromothiophen-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28658161
N-[(3-ethylthiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 113411481
2-(2-azaspiro[4.4]nonan-2-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 114279581
N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 4719998
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
3-ethylsulfonyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 65092881
N'-propan-2-yl-N-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 61151397
N',N'-dimethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine;N',N'-dimethyl-N-(2-phenylsulfanylethyl)ethane-1,2-diamine;N-(2-methylsulfanylethyl)-2-morpholin-4-ylethanamine;2-morpholin-4-yl-N-(2-phenylsulfanylethyl)ethanamine;3-morpholin-4-yl-N-(2-phenylsulfanylethyl)propan-1-amine;2-morpholin-4-yl-N-(thiophen-2-ylmethyl)ethanamine;N-(2-phenylsulfanylethyl)-2-pyrrolidin-1-ylethanamine
CID 161062578

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine (CID 28657357) is 3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine is c1csc(CNCCCN2CCCCC2)c1.
What is the InChIKey of 3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
The InChIKey is ZHGNXNYMMQBMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-2-8-15(9-3-1)10-5-7-14-12-13-6-4-11-16-13/h4,6,11,14H,1-3,5,7-10,12H2.
What are the key properties of 3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine?
3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 28657357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).