(2S)-1-chloro-3-piperidin-1-ylpropan-2-ol

C8H16ClNO — CID 102309781

IUPAC(2S)-1-chloro-3-piperidin-1-ylpropan-2-ol
SMILESO[C@H](CCl)CN1CCCCC1
InChIInChI=1S/C8H16ClNO/c9-6-8(11)7-10-4-2-1-3-5-10/h8,11H,1-7H2/t8-/m1/s1
InChIKeyIGMZDGBNMCELOE-MRVPVSSYSA-N
MW177.67 g/mol
LogP1.07
Rot. Bonds3

About (2S)-1-chloro-3-piperidin-1-ylpropan-2-ol

(2S)-1-chloro-3-piperidin-1-ylpropan-2-ol (PubChem CID 102309781) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is (2S)-1-chloro-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-chloro-3-piperidin-1-ylpropan-2-ol
PubChem CID102309781
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name(2S)-1-chloro-3-piperidin-1-ylpropan-2-ol
SMILESO[C@H](CCl)CN1CCCCC1
InChIInChI=1S/C8H16ClNO/c9-6-8(11)7-10-4-2-1-3-5-10/h8,11H,1-7H2/t8-/m1/s1
InChIKeyIGMZDGBNMCELOE-MRVPVSSYSA-N
XLogP1.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
(2S)-3-piperidin-1-ylpropane-1,2-diol
CID 854495
1-chloro-3-morpholin-4-ylpropan-2-ol
CID 10080987
1-(8-azaspiro[4.5]decan-8-yl)-3-chloropropan-2-ol
CID 112561635
1-chloro-3-(4-methylazepan-1-yl)propan-2-ol
CID 112561671
1-(azonan-1-yl)butan-2-ol
CID 130671766
(2S)-1-amino-3-(azonan-1-yl)propan-2-ol
CID 131048167
1-amino-3-(azonan-1-yl)propan-2-ol
CID 127001298
1-(3-chloro-2-hydroxypropyl)piperidin-4-one
CID 130130972
1-(4-tert-butylpiperazin-1-yl)-3-chloropropan-2-ol
CID 112561370
4-(azepan-1-yl)-3-hydroxybutanoic acid
CID 82774888
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-chloropropan-2-ol
CID 112561296

Frequently Asked Questions

What is the IUPAC name of (2S)-1-chloro-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-chloro-3-piperidin-1-ylpropan-2-ol (CID 102309781) is (2S)-1-chloro-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-chloro-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-chloro-3-piperidin-1-ylpropan-2-ol is O[C@H](CCl)CN1CCCCC1.
What is the InChIKey of (2S)-1-chloro-3-piperidin-1-ylpropan-2-ol?
The InChIKey is IGMZDGBNMCELOE-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16ClNO/c9-6-8(11)7-10-4-2-1-3-5-10/h8,11H,1-7H2/t8-/m1/s1.
What are the key properties of (2S)-1-chloro-3-piperidin-1-ylpropan-2-ol?
(2S)-1-chloro-3-piperidin-1-ylpropan-2-ol has a molecular weight of 177.67 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-chloro-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 102309781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).