4-(1-aminopropan-2-ylsulfanylmethyl)piperidin-4-ol

C9H20N2OS — CID 81041038

IUPAC4-(1-aminopropan-2-ylsulfanylmethyl)piperidin-4-ol
SMILESCC(CN)SCC1(O)CCNCC1
InChIInChI=1S/C9H20N2OS/c1-8(6-10)13-7-9(12)2-4-11-5-3-9/h8,11-12H,2-7,10H2,1H3
InChIKeyIUILRRDHGJDFGT-UHFFFAOYSA-N
MW204.34 g/mol
LogP0.18
Rot. Bonds4

About 4-(1-aminopropan-2-ylsulfanylmethyl)piperidin-4-ol

4-(1-aminopropan-2-ylsulfanylmethyl)piperidin-4-ol (PubChem CID 81041038) has the molecular formula C9H20N2OS and a molecular weight of 204.34 g/mol. Its IUPAC name is 4-(1-aminopropan-2-ylsulfanylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(1-aminopropan-2-ylsulfanylmethyl)piperidin-4-ol
PubChem CID81041038
Molecular FormulaC9H20N2OS
Molecular Weight204.34 g/mol
Exact Mass204.13
IUPAC Name4-(1-aminopropan-2-ylsulfanylmethyl)piperidin-4-ol
SMILESCC(CN)SCC1(O)CCNCC1
InChIInChI=1S/C9H20N2OS/c1-8(6-10)13-7-9(12)2-4-11-5-3-9/h8,11-12H,2-7,10H2,1H3
InChIKeyIUILRRDHGJDFGT-UHFFFAOYSA-N
XLogP0.18
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropan-2-ylsulfanylmethyl)piperidin-4-ol?
The IUPAC name of 4-(1-aminopropan-2-ylsulfanylmethyl)piperidin-4-ol (CID 81041038) is 4-(1-aminopropan-2-ylsulfanylmethyl)piperidin-4-ol.
What is the SMILES notation for 4-(1-aminopropan-2-ylsulfanylmethyl)piperidin-4-ol?
The canonical SMILES for 4-(1-aminopropan-2-ylsulfanylmethyl)piperidin-4-ol is CC(CN)SCC1(O)CCNCC1.
What is the InChIKey of 4-(1-aminopropan-2-ylsulfanylmethyl)piperidin-4-ol?
The InChIKey is IUILRRDHGJDFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS/c1-8(6-10)13-7-9(12)2-4-11-5-3-9/h8,11-12H,2-7,10H2,1H3.
What are the key properties of 4-(1-aminopropan-2-ylsulfanylmethyl)piperidin-4-ol?
4-(1-aminopropan-2-ylsulfanylmethyl)piperidin-4-ol has a molecular weight of 204.34 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropan-2-ylsulfanylmethyl)piperidin-4-ol is sourced from PubChem (CID 81041038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).