2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-1-thiophen-2-ylpropan-1-amine

C18H32N2S — CID 43722952

IUPAC2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCCN1CCC(C(C)NC(c2cccs2)C(C)C)CC1
InChIInChI=1S/C18H32N2S/c1-5-10-20-11-8-16(9-12-20)15(4)19-18(14(2)3)17-7-6-13-21-17/h6-7,13-16,18-19H,5,8-12H2,1-4H3
InChIKeyDBLJSIIKVAWBDP-UHFFFAOYSA-N
MW308.53 g/mol
LogP4.55
Rot. Bonds7

About 2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-1-thiophen-2-ylpropan-1-amine

2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 43722952) has the molecular formula C18H32N2S and a molecular weight of 308.53 g/mol. Its IUPAC name is 2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID43722952
Molecular FormulaC18H32N2S
Molecular Weight308.53 g/mol
Exact Mass308.23
IUPAC Name2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCCN1CCC(C(C)NC(c2cccs2)C(C)C)CC1
InChIInChI=1S/C18H32N2S/c1-5-10-20-11-8-16(9-12-20)15(4)19-18(14(2)3)17-7-6-13-21-17/h6-7,13-16,18-19H,5,8-12H2,1-4H3
InChIKeyDBLJSIIKVAWBDP-UHFFFAOYSA-N
XLogP4.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.53
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propyl-N-[(1S)-1-thiophen-2-ylethyl]azepan-4-amine
CID 81398218
N-[(1R)-1-(furan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 81403845
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 61240692
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 43692479
1-(1-propylpiperidin-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]ethanamine
CID 81405583
3,3-dimethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]butan-2-amine
CID 113457709
N-[cyclopentyl(thiophen-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 43740525
2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1-thiophen-2-ylpropan-1-amine
CID 54953108
2,6-dichloro-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 65467589
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 81349354
2-methyl-N-(2-piperidin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine
CID 60697417
1-(1-propylpiperidin-4-yl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43308271

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-1-thiophen-2-ylpropan-1-amine (CID 43722952) is 2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-1-thiophen-2-ylpropan-1-amine is CCCN1CCC(C(C)NC(c2cccs2)C(C)C)CC1.
What is the InChIKey of 2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is DBLJSIIKVAWBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-5-10-20-11-8-16(9-12-20)15(4)19-18(14(2)3)17-7-6-13-21-17/h6-7,13-16,18-19H,5,8-12H2,1-4H3.
What are the key properties of 2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-1-thiophen-2-ylpropan-1-amine?
2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 308.53 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 43722952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).