3-(piperidin-4-ylmethylsulfanyl)butan-2-ol

C10H21NOS — CID 107771583

IUPAC3-(piperidin-4-ylmethylsulfanyl)butan-2-ol
SMILESCC(O)C(C)SCC1CCNCC1
InChIInChI=1S/C10H21NOS/c1-8(12)9(2)13-7-10-3-5-11-6-4-10/h8-12H,3-7H2,1-2H3
InChIKeyHQSQFMHBKLXJFA-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.49
Rot. Bonds4

About 3-(piperidin-4-ylmethylsulfanyl)butan-2-ol

3-(piperidin-4-ylmethylsulfanyl)butan-2-ol (PubChem CID 107771583) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-(piperidin-4-ylmethylsulfanyl)butan-2-ol.

Molecular Properties

Compound Name3-(piperidin-4-ylmethylsulfanyl)butan-2-ol
PubChem CID107771583
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-(piperidin-4-ylmethylsulfanyl)butan-2-ol
SMILESCC(O)C(C)SCC1CCNCC1
InChIInChI=1S/C10H21NOS/c1-8(12)9(2)13-7-10-3-5-11-6-4-10/h8-12H,3-7H2,1-2H3
InChIKeyHQSQFMHBKLXJFA-UHFFFAOYSA-N
XLogP1.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-4-ylmethylsulfanyl)butan-2-ol?
The IUPAC name of 3-(piperidin-4-ylmethylsulfanyl)butan-2-ol (CID 107771583) is 3-(piperidin-4-ylmethylsulfanyl)butan-2-ol.
What is the SMILES notation for 3-(piperidin-4-ylmethylsulfanyl)butan-2-ol?
The canonical SMILES for 3-(piperidin-4-ylmethylsulfanyl)butan-2-ol is CC(O)C(C)SCC1CCNCC1.
What is the InChIKey of 3-(piperidin-4-ylmethylsulfanyl)butan-2-ol?
The InChIKey is HQSQFMHBKLXJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-8(12)9(2)13-7-10-3-5-11-6-4-10/h8-12H,3-7H2,1-2H3.
What are the key properties of 3-(piperidin-4-ylmethylsulfanyl)butan-2-ol?
3-(piperidin-4-ylmethylsulfanyl)butan-2-ol has a molecular weight of 203.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-4-ylmethylsulfanyl)butan-2-ol is sourced from PubChem (CID 107771583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).