N-propan-2-yl-1-(thiophen-3-ylmethyl)piperidin-4-amine

C13H22N2S — CID 115882623

IUPACN-propan-2-yl-1-(thiophen-3-ylmethyl)piperidin-4-amine
SMILESCC(C)NC1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C13H22N2S/c1-11(2)14-13-3-6-15(7-4-13)9-12-5-8-16-10-12/h5,8,10-11,13-14H,3-4,6-7,9H2,1-2H3
InChIKeyZVKXMVUAVMTMQB-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.71
Rot. Bonds4

About N-propan-2-yl-1-(thiophen-3-ylmethyl)piperidin-4-amine

N-propan-2-yl-1-(thiophen-3-ylmethyl)piperidin-4-amine (PubChem CID 115882623) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-propan-2-yl-1-(thiophen-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-propan-2-yl-1-(thiophen-3-ylmethyl)piperidin-4-amine
PubChem CID115882623
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-propan-2-yl-1-(thiophen-3-ylmethyl)piperidin-4-amine
SMILESCC(C)NC1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C13H22N2S/c1-11(2)14-13-3-6-15(7-4-13)9-12-5-8-16-10-12/h5,8,10-11,13-14H,3-4,6-7,9H2,1-2H3
InChIKeyZVKXMVUAVMTMQB-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze N-propan-2-yl-1-(thiophen-3-ylmethyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine
CID 54953167
1-(thiophen-3-ylmethyl)azetidine
CID 131087701
1-(2-methylpropyl)-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine
CID 103777050
1-(1-methylcyclobutyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]urea
CID 91659891
2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 54869915
methyl 1-(thiophen-3-ylmethyl)piperidine-4-carboxylate
CID 62027274
N-propan-2-yl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 115752802
4-(bromomethyl)-1-(thiophen-3-ylmethyl)azepane
CID 131162358
2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]ethanol
CID 121200335
N-propan-2-yl-1-(thiadiazol-4-ylmethyl)piperidin-4-amine
CID 115882622
3-bromo-1-(thiophen-3-ylmethyl)pyrrolidine
CID 80675822
1-(thiophen-3-ylmethyl)pyrrolidin-3-ol
CID 62916311

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-(thiophen-3-ylmethyl)piperidin-4-amine?
The IUPAC name of N-propan-2-yl-1-(thiophen-3-ylmethyl)piperidin-4-amine (CID 115882623) is N-propan-2-yl-1-(thiophen-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-propan-2-yl-1-(thiophen-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-propan-2-yl-1-(thiophen-3-ylmethyl)piperidin-4-amine is CC(C)NC1CCN(Cc2ccsc2)CC1.
What is the InChIKey of N-propan-2-yl-1-(thiophen-3-ylmethyl)piperidin-4-amine?
The InChIKey is ZVKXMVUAVMTMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-11(2)14-13-3-6-15(7-4-13)9-12-5-8-16-10-12/h5,8,10-11,13-14H,3-4,6-7,9H2,1-2H3.
What are the key properties of N-propan-2-yl-1-(thiophen-3-ylmethyl)piperidin-4-amine?
N-propan-2-yl-1-(thiophen-3-ylmethyl)piperidin-4-amine has a molecular weight of 238.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-(thiophen-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 115882623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).