1-[1-[2-propyl-2-(sulfanylmethyl)pentyl]piperidin-4-yl]ethanol

C16H33NOS — CID 106839752

IUPAC1-[1-[2-propyl-2-(sulfanylmethyl)pentyl]piperidin-4-yl]ethanol
SMILESCCCC(CS)(CCC)CN1CCC(C(C)O)CC1
InChIInChI=1S/C16H33NOS/c1-4-8-16(13-19,9-5-2)12-17-10-6-15(7-11-17)14(3)18/h14-15,18-19H,4-13H2,1-3H3
InChIKeyIQCVCPAXYWQCJH-UHFFFAOYSA-N
MW287.51 g/mol
LogP3.60
Rot. Bonds8

About 1-[1-[2-propyl-2-(sulfanylmethyl)pentyl]piperidin-4-yl]ethanol

1-[1-[2-propyl-2-(sulfanylmethyl)pentyl]piperidin-4-yl]ethanol (PubChem CID 106839752) has the molecular formula C16H33NOS and a molecular weight of 287.51 g/mol. Its IUPAC name is 1-[1-[2-propyl-2-(sulfanylmethyl)pentyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-propyl-2-(sulfanylmethyl)pentyl]piperidin-4-yl]ethanol
PubChem CID106839752
Molecular FormulaC16H33NOS
Molecular Weight287.51 g/mol
Exact Mass287.23
IUPAC Name1-[1-[2-propyl-2-(sulfanylmethyl)pentyl]piperidin-4-yl]ethanol
SMILESCCCC(CS)(CCC)CN1CCC(C(C)O)CC1
InChIInChI=1S/C16H33NOS/c1-4-8-16(13-19,9-5-2)12-17-10-6-15(7-11-17)14(3)18/h14-15,18-19H,4-13H2,1-3H3
InChIKeyIQCVCPAXYWQCJH-UHFFFAOYSA-N
XLogP3.60
TPSA23.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.51
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-propyl-2-(sulfanylmethyl)pentyl]pyrrolidin-3-yl]methanol
CID 112629447
3-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]pentan-3-ol
CID 103935797
1-[1-[2,2-dimethyl-3-(methylamino)propyl]piperidin-4-yl]ethanol
CID 106837804
1-(1-ethylpiperidin-4-yl)ethanol
CID 588327
2-ethyl-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]butanal
CID 106837734
(1R)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethanol
CID 129386330
2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]-2-propylpentane-1-thiol
CID 81195715
[1-[2-propyl-2-(sulfanylmethyl)pentyl]azepan-2-yl]methanol
CID 116640621
1-[1-[2-(bromomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol
CID 112628053
1-(1-heptylpiperidin-4-yl)ethanol
CID 103688705
1-[1-[2-[(tert-butylamino)methyl]-2-methylbutyl]piperidin-4-yl]ethanol
CID 106837835
1-[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-yl]ethanol
CID 112629152

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-propyl-2-(sulfanylmethyl)pentyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[2-propyl-2-(sulfanylmethyl)pentyl]piperidin-4-yl]ethanol (CID 106839752) is 1-[1-[2-propyl-2-(sulfanylmethyl)pentyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[2-propyl-2-(sulfanylmethyl)pentyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[2-propyl-2-(sulfanylmethyl)pentyl]piperidin-4-yl]ethanol is CCCC(CS)(CCC)CN1CCC(C(C)O)CC1.
What is the InChIKey of 1-[1-[2-propyl-2-(sulfanylmethyl)pentyl]piperidin-4-yl]ethanol?
The InChIKey is IQCVCPAXYWQCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NOS/c1-4-8-16(13-19,9-5-2)12-17-10-6-15(7-11-17)14(3)18/h14-15,18-19H,4-13H2,1-3H3.
What are the key properties of 1-[1-[2-propyl-2-(sulfanylmethyl)pentyl]piperidin-4-yl]ethanol?
1-[1-[2-propyl-2-(sulfanylmethyl)pentyl]piperidin-4-yl]ethanol has a molecular weight of 287.51 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-propyl-2-(sulfanylmethyl)pentyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106839752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).