N-[(4-chlorothiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine

C13H21ClN2S — CID 79420468

IUPACN-[(4-chlorothiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
SMILESClc1csc(CNCCCN2CCCCC2)c1
InChIInChI=1S/C13H21ClN2S/c14-12-9-13(17-11-12)10-15-5-4-8-16-6-2-1-3-7-16/h9,11,15H,1-8,10H2
InChIKeyZHXQZEQDJVMPHY-UHFFFAOYSA-N
MW272.84 g/mol
LogP3.37
Rot. Bonds6

About N-[(4-chlorothiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine

N-[(4-chlorothiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine (PubChem CID 79420468) has the molecular formula C13H21ClN2S and a molecular weight of 272.84 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
PubChem CID79420468
Molecular FormulaC13H21ClN2S
Molecular Weight272.84 g/mol
Exact Mass272.11
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
SMILESClc1csc(CNCCCN2CCCCC2)c1
InChIInChI=1S/C13H21ClN2S/c14-12-9-13(17-11-12)10-15-5-4-8-16-6-2-1-3-7-16/h9,11,15H,1-8,10H2
InChIKeyZHXQZEQDJVMPHY-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.84
LogP ≤ 53.37
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
3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28657357
N-[(4-chlorothiophen-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 79427153
N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657714
N-[(4-chlorothiophen-2-yl)methyl]but-3-yn-1-amine
CID 79427929
N-[(5-bromothiophen-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28658161
N-[(3,5-dichlorophenyl)methyl]-2-piperidin-1-ylethanamine
CID 61037688
N-[(4-chlorothiophen-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 107165869
N-[(3-bromothiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 115379805
N-[(4-chlorothiophen-2-yl)methyl]prop-2-yn-1-amine
CID 79420548
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
1-(2-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]methanamine
CID 79420026

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine (CID 79420468) is N-[(4-chlorothiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine is Clc1csc(CNCCCN2CCCCC2)c1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine?
The InChIKey is ZHXQZEQDJVMPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2S/c14-12-9-13(17-11-12)10-15-5-4-8-16-6-2-1-3-7-16/h9,11,15H,1-8,10H2.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine?
N-[(4-chlorothiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine has a molecular weight of 272.84 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)methyl]-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 79420468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).