2-piperidin-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine

C17H29N3S — CID 79541546

IUPAC2-piperidin-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine
SMILESCCC(NC1CCCCC1C1CCCCN1)c1nccs1
InChIInChI=1S/C17H29N3S/c1-2-14(17-19-11-12-21-17)20-16-9-4-3-7-13(16)15-8-5-6-10-18-15/h11-16,18,20H,2-10H2,1H3
InChIKeyQRCCFXUCKGNABV-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.88
Rot. Bonds5

About 2-piperidin-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine

2-piperidin-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine (PubChem CID 79541546) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is 2-piperidin-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-piperidin-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine
PubChem CID79541546
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC Name2-piperidin-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine
SMILESCCC(NC1CCCCC1C1CCCCN1)c1nccs1
InChIInChI=1S/C17H29N3S/c1-2-14(17-19-11-12-21-17)20-16-9-4-3-7-13(16)15-8-5-6-10-18-15/h11-16,18,20H,2-10H2,1H3
InChIKeyQRCCFXUCKGNABV-UHFFFAOYSA-N
XLogP3.88
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrrolidin-2-yl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 79536699
N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidin-3-amine
CID 79740776
N-[1-(1,3-thiazol-2-yl)propyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364633
N-pent-1-yn-3-yl-2-piperidin-2-ylcyclohexan-1-amine
CID 106224436
1-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexane-1,3-diamine
CID 79459168
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine
CID 102894599
2-[(2-pyrrolidin-2-ylcyclohexyl)amino]butan-1-ol
CID 79545851
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
3-[(2-piperidin-2-ylcyclopentyl)amino]pentan-1-ol
CID 113495583
2-piperidin-2-yl-N-(1-thiophen-3-ylethyl)cyclohexan-1-amine
CID 79553353
N-ethyl-2-piperidin-2-ylcyclohexan-1-amine
CID 79553478
(2S)-3-methyl-2-[(2-piperidin-2-ylcyclopentyl)amino]butan-1-ol
CID 79544884

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine?
The IUPAC name of 2-piperidin-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine (CID 79541546) is 2-piperidin-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine.
What is the SMILES notation for 2-piperidin-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine?
The canonical SMILES for 2-piperidin-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine is CCC(NC1CCCCC1C1CCCCN1)c1nccs1.
What is the InChIKey of 2-piperidin-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine?
The InChIKey is QRCCFXUCKGNABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-2-14(17-19-11-12-21-17)20-16-9-4-3-7-13(16)15-8-5-6-10-18-15/h11-16,18,20H,2-10H2,1H3.
What are the key properties of 2-piperidin-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine?
2-piperidin-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine has a molecular weight of 307.51 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]cyclohexan-1-amine is sourced from PubChem (CID 79541546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).