6-(2-propylpiperidin-1-yl)hexane-1-thiol

C14H29NS — CID 83057539

IUPAC6-(2-propylpiperidin-1-yl)hexane-1-thiol
SMILESCCCC1CCCCN1CCCCCCS
InChIInChI=1S/C14H29NS/c1-2-9-14-10-5-7-12-15(14)11-6-3-4-8-13-16/h14,16H,2-13H2,1H3
InChIKeyKJFVGLSIZZIUEC-UHFFFAOYSA-N
MW243.46 g/mol
LogP4.13
Rot. Bonds8

About 6-(2-propylpiperidin-1-yl)hexane-1-thiol

6-(2-propylpiperidin-1-yl)hexane-1-thiol (PubChem CID 83057539) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is 6-(2-propylpiperidin-1-yl)hexane-1-thiol.

Molecular Properties

Compound Name6-(2-propylpiperidin-1-yl)hexane-1-thiol
PubChem CID83057539
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC Name6-(2-propylpiperidin-1-yl)hexane-1-thiol
SMILESCCCC1CCCCN1CCCCCCS
InChIInChI=1S/C14H29NS/c1-2-9-14-10-5-7-12-15(14)11-6-3-4-8-13-16/h14,16H,2-13H2,1H3
InChIKeyKJFVGLSIZZIUEC-UHFFFAOYSA-N
XLogP4.13
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-pentyl-2-propylpiperidine
CID 54429991
2-butyl-1-hexylpiperidine
CID 171569565
1-decyl-2-propylpyrrolidine;hydrochloride
CID 175874875
2-butyl-1-hexylpiperidine;hydrofluoride
CID 175874869
3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83052825
N-propan-2-yl-5-(2-propylpiperidin-1-yl)pentan-1-amine
CID 83061777
[1-(5-sulfanylpentyl)azepan-2-yl]methanol
CID 116640612
5-(2-propylpiperidin-1-yl)pentanenitrile
CID 83056574
2-(1-hexylpiperidin-2-yl)ethanamine
CID 63759699
2-(1-octylpiperidin-2-yl)ethanol
CID 62020097
1-dodecyl-2-ethylpiperidine
CID 171569899
N-(2-methylpropyl)-5-(2-propylpiperidin-1-yl)pentan-1-amine
CID 83061694

Frequently Asked Questions

What is the IUPAC name of 6-(2-propylpiperidin-1-yl)hexane-1-thiol?
The IUPAC name of 6-(2-propylpiperidin-1-yl)hexane-1-thiol (CID 83057539) is 6-(2-propylpiperidin-1-yl)hexane-1-thiol.
What is the SMILES notation for 6-(2-propylpiperidin-1-yl)hexane-1-thiol?
The canonical SMILES for 6-(2-propylpiperidin-1-yl)hexane-1-thiol is CCCC1CCCCN1CCCCCCS.
What is the InChIKey of 6-(2-propylpiperidin-1-yl)hexane-1-thiol?
The InChIKey is KJFVGLSIZZIUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS/c1-2-9-14-10-5-7-12-15(14)11-6-3-4-8-13-16/h14,16H,2-13H2,1H3.
What are the key properties of 6-(2-propylpiperidin-1-yl)hexane-1-thiol?
6-(2-propylpiperidin-1-yl)hexane-1-thiol has a molecular weight of 243.46 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-propylpiperidin-1-yl)hexane-1-thiol is sourced from PubChem (CID 83057539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).