1-(3-hydroxypropyl)-4-methylpiperidine-4-carbothioamide

C10H20N2OS — CID 107161621

IUPAC1-(3-hydroxypropyl)-4-methylpiperidine-4-carbothioamide
SMILESCC1(C(N)=S)CCN(CCCO)CC1
InChIInChI=1S/C10H20N2OS/c1-10(9(11)14)3-6-12(7-4-10)5-2-8-13/h13H,2-8H2,1H3,(H2,11,14)
InChIKeyKXMGFMGFRKMUEI-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.76
Rot. Bonds4

About 1-(3-hydroxypropyl)-4-methylpiperidine-4-carbothioamide

1-(3-hydroxypropyl)-4-methylpiperidine-4-carbothioamide (PubChem CID 107161621) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-4-methylpiperidine-4-carbothioamide.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-4-methylpiperidine-4-carbothioamide
PubChem CID107161621
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name1-(3-hydroxypropyl)-4-methylpiperidine-4-carbothioamide
SMILESCC1(C(N)=S)CCN(CCCO)CC1
InChIInChI=1S/C10H20N2OS/c1-10(9(11)14)3-6-12(7-4-10)5-2-8-13/h13H,2-8H2,1H3,(H2,11,14)
InChIKeyKXMGFMGFRKMUEI-UHFFFAOYSA-N
XLogP0.76
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxypropyl)-4-methylpiperidine-4-carbothioamide
CID 107161474
4-methyl-1-(2-methylsulfanylethyl)piperidine-4-carbothioamide
CID 107161548
methyl 4-(4-carbamothioyl-4-methylpiperidin-1-yl)butanoate
CID 107161638
1-(3-hydroxy-2-methylpropyl)-4-methylpiperidine-4-carbothioamide
CID 107161484
1-(2-hydroxypropyl)-4-methylpiperidine-4-carbothioamide
CID 107161389
4-methyl-1-(2-thiophen-3-ylethyl)piperidine-4-carbothioamide
CID 107161580
4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carbothioamide
CID 107161559
4-methyl-1-(oxan-4-ylmethyl)piperidine-4-carbothioamide
CID 107161634
1-(2-methoxyacetyl)-4-methylpiperidine-4-carbothioamide
CID 107160961
4-methyl-1-(1-methylcyclopentanecarbonyl)piperidine-4-carbothioamide
CID 107161141
1-(4-hydroxybutyl)-4-methylpiperidine-4-carbonitrile
CID 103994156
1-(2-hydroxyethyl)-4-methylpiperidine-4-carboxylic acid
CID 63124484

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-4-methylpiperidine-4-carbothioamide?
The IUPAC name of 1-(3-hydroxypropyl)-4-methylpiperidine-4-carbothioamide (CID 107161621) is 1-(3-hydroxypropyl)-4-methylpiperidine-4-carbothioamide.
What is the SMILES notation for 1-(3-hydroxypropyl)-4-methylpiperidine-4-carbothioamide?
The canonical SMILES for 1-(3-hydroxypropyl)-4-methylpiperidine-4-carbothioamide is CC1(C(N)=S)CCN(CCCO)CC1.
What is the InChIKey of 1-(3-hydroxypropyl)-4-methylpiperidine-4-carbothioamide?
The InChIKey is KXMGFMGFRKMUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-10(9(11)14)3-6-12(7-4-10)5-2-8-13/h13H,2-8H2,1H3,(H2,11,14).
What are the key properties of 1-(3-hydroxypropyl)-4-methylpiperidine-4-carbothioamide?
1-(3-hydroxypropyl)-4-methylpiperidine-4-carbothioamide has a molecular weight of 216.35 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-4-methylpiperidine-4-carbothioamide is sourced from PubChem (CID 107161621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).