(2S)-3-piperidin-1-ylpropane-1,2-diol

C8H17NO2 — CID 854495

IUPAC(2S)-3-piperidin-1-ylpropane-1,2-diol
SMILESOC[C@@H](O)CN1CCCCC1
InChIInChI=1S/C8H17NO2/c10-7-8(11)6-9-4-2-1-3-5-9/h8,10-11H,1-7H2/t8-/m0/s1
InChIKeyMECNWXGGNCJFQJ-QMMMGPOBSA-N
MW159.23 g/mol
LogP-0.17
Rot. Bonds3

About (2S)-3-piperidin-1-ylpropane-1,2-diol

(2S)-3-piperidin-1-ylpropane-1,2-diol (PubChem CID 854495) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2S)-3-piperidin-1-ylpropane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-piperidin-1-ylpropane-1,2-diol
PubChem CID854495
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2S)-3-piperidin-1-ylpropane-1,2-diol
SMILESOC[C@@H](O)CN1CCCCC1
InChIInChI=1S/C8H17NO2/c10-7-8(11)6-9-4-2-1-3-5-9/h8,10-11H,1-7H2/t8-/m0/s1
InChIKeyMECNWXGGNCJFQJ-QMMMGPOBSA-N
XLogP-0.17
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-amino-3-(azonan-1-yl)propan-2-ol
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6-pyrrolidin-1-ylhexane-1,5-diol
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3-[4-(2-hydroxypropyl)piperazin-1-yl]propane-1,2-diol
CID 139832285
(2S)-3-morpholin-4-ylpropane-1,2-diol
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4-[(2R)-2-hydroxy-3-piperidin-1-ylpropyl]piperazine-1-carbaldehyde
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1-(azepan-1-yl)-3-(1,2,4-triazol-4-yl)propan-2-ol
CID 50951979
4-(azepan-1-yl)-3-hydroxybutanoic acid
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CID 58868254

Frequently Asked Questions

What is the IUPAC name of (2S)-3-piperidin-1-ylpropane-1,2-diol?
The IUPAC name of (2S)-3-piperidin-1-ylpropane-1,2-diol (CID 854495) is (2S)-3-piperidin-1-ylpropane-1,2-diol.
What is the SMILES notation for (2S)-3-piperidin-1-ylpropane-1,2-diol?
The canonical SMILES for (2S)-3-piperidin-1-ylpropane-1,2-diol is OC[C@@H](O)CN1CCCCC1.
What is the InChIKey of (2S)-3-piperidin-1-ylpropane-1,2-diol?
The InChIKey is MECNWXGGNCJFQJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NO2/c10-7-8(11)6-9-4-2-1-3-5-9/h8,10-11H,1-7H2/t8-/m0/s1.
What are the key properties of (2S)-3-piperidin-1-ylpropane-1,2-diol?
(2S)-3-piperidin-1-ylpropane-1,2-diol has a molecular weight of 159.23 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-piperidin-1-ylpropane-1,2-diol is sourced from PubChem (CID 854495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).