4-methyl-4-piperidin-1-yl-N-propyl-1-thiophen-2-ylpentan-3-amine

C18H32N2S — CID 79052192

IUPAC4-methyl-4-piperidin-1-yl-N-propyl-1-thiophen-2-ylpentan-3-amine
SMILESCCCNC(CCc1cccs1)C(C)(C)N1CCCCC1
InChIInChI=1S/C18H32N2S/c1-4-12-19-17(11-10-16-9-8-15-21-16)18(2,3)20-13-6-5-7-14-20/h8-9,15,17,19H,4-7,10-14H2,1-3H3
InChIKeyQKCRVZPXLKAFDW-UHFFFAOYSA-N
MW308.53 g/mol
LogP4.31
Rot. Bonds8

About 4-methyl-4-piperidin-1-yl-N-propyl-1-thiophen-2-ylpentan-3-amine

4-methyl-4-piperidin-1-yl-N-propyl-1-thiophen-2-ylpentan-3-amine (PubChem CID 79052192) has the molecular formula C18H32N2S and a molecular weight of 308.53 g/mol. Its IUPAC name is 4-methyl-4-piperidin-1-yl-N-propyl-1-thiophen-2-ylpentan-3-amine.

Molecular Properties

Compound Name4-methyl-4-piperidin-1-yl-N-propyl-1-thiophen-2-ylpentan-3-amine
PubChem CID79052192
Molecular FormulaC18H32N2S
Molecular Weight308.53 g/mol
Exact Mass308.23
IUPAC Name4-methyl-4-piperidin-1-yl-N-propyl-1-thiophen-2-ylpentan-3-amine
SMILESCCCNC(CCc1cccs1)C(C)(C)N1CCCCC1
InChIInChI=1S/C18H32N2S/c1-4-12-19-17(11-10-16-9-8-15-21-16)18(2,3)20-13-6-5-7-14-20/h8-9,15,17,19H,4-7,10-14H2,1-3H3
InChIKeyQKCRVZPXLKAFDW-UHFFFAOYSA-N
XLogP4.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.53
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-4-pyrrolidin-1-yl-1-thiophen-2-ylpentan-3-amine
CID 79056548
2-(azepan-1-yl)-2-methyl-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 79052153
(3-methyl-3-piperidin-1-yl-1-thiophen-2-ylbutan-2-yl)hydrazine
CID 105239963
3-methyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79045291
1-(5-ethylthiophen-2-yl)-3-methyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051436
1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-yl-N-propylbutan-2-amine
CID 79052191
N-ethyl-4-methyl-4-piperidin-1-yl-1-thiophen-3-ylpentan-3-amine
CID 79045793
2-(azepan-1-yl)-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 79051539
1,1-dimethoxy-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 79493483
2-(azepan-1-yl)-2,5-dimethyl-N-propyloctan-3-amine
CID 79051683
2-methyl-6-methylsulfonyl-N-propyl-2-pyrrolidin-1-ylhexan-3-amine
CID 79045743
3-methyl-1-(4-methylphenyl)-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051407

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-piperidin-1-yl-N-propyl-1-thiophen-2-ylpentan-3-amine?
The IUPAC name of 4-methyl-4-piperidin-1-yl-N-propyl-1-thiophen-2-ylpentan-3-amine (CID 79052192) is 4-methyl-4-piperidin-1-yl-N-propyl-1-thiophen-2-ylpentan-3-amine.
What is the SMILES notation for 4-methyl-4-piperidin-1-yl-N-propyl-1-thiophen-2-ylpentan-3-amine?
The canonical SMILES for 4-methyl-4-piperidin-1-yl-N-propyl-1-thiophen-2-ylpentan-3-amine is CCCNC(CCc1cccs1)C(C)(C)N1CCCCC1.
What is the InChIKey of 4-methyl-4-piperidin-1-yl-N-propyl-1-thiophen-2-ylpentan-3-amine?
The InChIKey is QKCRVZPXLKAFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-4-12-19-17(11-10-16-9-8-15-21-16)18(2,3)20-13-6-5-7-14-20/h8-9,15,17,19H,4-7,10-14H2,1-3H3.
What are the key properties of 4-methyl-4-piperidin-1-yl-N-propyl-1-thiophen-2-ylpentan-3-amine?
4-methyl-4-piperidin-1-yl-N-propyl-1-thiophen-2-ylpentan-3-amine has a molecular weight of 308.53 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-piperidin-1-yl-N-propyl-1-thiophen-2-ylpentan-3-amine is sourced from PubChem (CID 79052192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).