N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine

C15H25ClN2S — CID 63240776

IUPACN-[[1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(C(C)c2ccc(Cl)s2)C1
InChIInChI=1S/C15H25ClN2S/c1-11(2)17-9-13-5-4-8-18(10-13)12(3)14-6-7-15(16)19-14/h6-7,11-13,17H,4-5,8-10H2,1-3H3
InChIKeySNRCHGJQSFJVOD-UHFFFAOYSA-N
MW300.90 g/mol
LogP4.17
Rot. Bonds5

About N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine

N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine (PubChem CID 63240776) has the molecular formula C15H25ClN2S and a molecular weight of 300.90 g/mol. Its IUPAC name is N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
PubChem CID63240776
Molecular FormulaC15H25ClN2S
Molecular Weight300.90 g/mol
Exact Mass300.14
IUPAC NameN-[[1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(C(C)c2ccc(Cl)s2)C1
InChIInChI=1S/C15H25ClN2S/c1-11(2)17-9-13-5-4-8-18(10-13)12(3)14-6-7-15(16)19-14/h6-7,11-13,17H,4-5,8-10H2,1-3H3
InChIKeySNRCHGJQSFJVOD-UHFFFAOYSA-N
XLogP4.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.90
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513257
1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-amine
CID 61297752
N-[[1-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62511792
N-[[1-[1-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240956
N-[[1-[1-(2,4-dichlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240771
2-(5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586033
1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperidin-4-amine
CID 54954672
3-butan-2-yl-1-[1-(5-chlorothiophen-2-yl)ethyl]-1,4-diazepane
CID 64943819
1-(5-chlorothiophen-2-yl)-N-(cyclobutylmethyl)propan-1-amine
CID 115713294
N-methyl-1-[1-[1-(4-propan-2-ylphenyl)ethyl]piperidin-3-yl]methanamine
CID 61204878
3-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 103785821
N-[[1-[(5-chloro-1,3-thiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 104973667

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine (CID 63240776) is N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCCN(C(C)c2ccc(Cl)s2)C1.
What is the InChIKey of N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is SNRCHGJQSFJVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2S/c1-11(2)17-9-13-5-4-8-18(10-13)12(3)14-6-7-15(16)19-14/h6-7,11-13,17H,4-5,8-10H2,1-3H3.
What are the key properties of N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine?
N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 300.90 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63240776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).