3-(2-methylpiperidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine

C13H23N3S — CID 55248695

IUPAC3-(2-methylpiperidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
SMILESCC1CCCCN1CCCNCc1nccs1
InChIInChI=1S/C13H23N3S/c1-12-5-2-3-8-16(12)9-4-6-14-11-13-15-7-10-17-13/h7,10,12,14H,2-6,8-9,11H2,1H3
InChIKeyLPJOGQHYEXHNSA-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.50
Rot. Bonds6

About 3-(2-methylpiperidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine

3-(2-methylpiperidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine (PubChem CID 55248695) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
PubChem CID55248695
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name3-(2-methylpiperidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
SMILESCC1CCCCN1CCCNCc1nccs1
InChIInChI=1S/C13H23N3S/c1-12-5-2-3-8-16(12)9-4-6-14-11-13-15-7-10-17-13/h7,10,12,14H,2-6,8-9,11H2,1H3
InChIKeyLPJOGQHYEXHNSA-UHFFFAOYSA-N
XLogP2.50
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2R)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2R)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71451639
3-[(2S)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2S)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71455186
3-(2-methylpiperidin-1-yl)-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 62759298
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43217592
N-(furan-3-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 55182404
3-(2-methylpiperidin-1-yl)-N-(3-methylsulfonylpropyl)propan-1-amine
CID 63190466
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 64539096
3-(2-methylpiperidin-1-yl)-N-[(5-nitrothiophen-3-yl)methyl]propan-1-amine
CID 60810717
3-(2-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 43193223
N-(3-imidazol-1-ylpropyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 61494653
N-[[4-(difluoromethyl)phenyl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 115523425
N-[(1-ethylpyrrol-3-yl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 66397309

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-(2-methylpiperidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine (CID 55248695) is 3-(2-methylpiperidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine is CC1CCCCN1CCCNCc1nccs1.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine?
The InChIKey is LPJOGQHYEXHNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-12-5-2-3-8-16(12)9-4-6-14-11-13-15-7-10-17-13/h7,10,12,14H,2-6,8-9,11H2,1H3.
What are the key properties of 3-(2-methylpiperidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine?
3-(2-methylpiperidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 55248695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).