4-(butylsulfanylmethyl)piperidin-4-ol;hydrochloride

C10H22ClNOS — CID 175404695

IUPAC4-(butylsulfanylmethyl)piperidin-4-ol;hydrochloride
SMILESCCCCSCC1(O)CCNCC1.Cl
InChIInChI=1S/C10H21NOS.ClH/c1-2-3-8-13-9-10(12)4-6-11-7-5-10;/h11-12H,2-9H2,1H3;1H
InChIKeyJACUQRLVPNNWKX-UHFFFAOYSA-N
MW239.81 g/mol
LogP2.06
Rot. Bonds5

About 4-(butylsulfanylmethyl)piperidin-4-ol;hydrochloride

4-(butylsulfanylmethyl)piperidin-4-ol;hydrochloride (PubChem CID 175404695) has the molecular formula C10H22ClNOS and a molecular weight of 239.81 g/mol. Its IUPAC name is 4-(butylsulfanylmethyl)piperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name4-(butylsulfanylmethyl)piperidin-4-ol;hydrochloride
PubChem CID175404695
Molecular FormulaC10H22ClNOS
Molecular Weight239.81 g/mol
Exact Mass239.11
IUPAC Name4-(butylsulfanylmethyl)piperidin-4-ol;hydrochloride
SMILESCCCCSCC1(O)CCNCC1.Cl
InChIInChI=1S/C10H21NOS.ClH/c1-2-3-8-13-9-10(12)4-6-11-7-5-10;/h11-12H,2-9H2,1H3;1H
InChIKeyJACUQRLVPNNWKX-UHFFFAOYSA-N
XLogP2.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.81
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(butylsulfanylmethyl)piperidin-4-ol;hydrochloride?
The IUPAC name of 4-(butylsulfanylmethyl)piperidin-4-ol;hydrochloride (CID 175404695) is 4-(butylsulfanylmethyl)piperidin-4-ol;hydrochloride.
What is the SMILES notation for 4-(butylsulfanylmethyl)piperidin-4-ol;hydrochloride?
The canonical SMILES for 4-(butylsulfanylmethyl)piperidin-4-ol;hydrochloride is CCCCSCC1(O)CCNCC1.Cl.
What is the InChIKey of 4-(butylsulfanylmethyl)piperidin-4-ol;hydrochloride?
The InChIKey is JACUQRLVPNNWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS.ClH/c1-2-3-8-13-9-10(12)4-6-11-7-5-10;/h11-12H,2-9H2,1H3;1H.
What are the key properties of 4-(butylsulfanylmethyl)piperidin-4-ol;hydrochloride?
4-(butylsulfanylmethyl)piperidin-4-ol;hydrochloride has a molecular weight of 239.81 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylsulfanylmethyl)piperidin-4-ol;hydrochloride is sourced from PubChem (CID 175404695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).