(2S,3S)-2-(2-chloroprop-2-enyl)-6-propylpiperidin-3-ol

C11H20ClNO — CID 166812063

IUPAC(2S,3S)-2-(2-chloroprop-2-enyl)-6-propylpiperidin-3-ol
SMILESC=C(Cl)C[C@@H]1NC(CCC)CC[C@@H]1O
InChIInChI=1S/C11H20ClNO/c1-3-4-9-5-6-11(14)10(13-9)7-8(2)12/h9-11,13-14H,2-7H2,1H3/t9?,10-,11-/m0/s1
InChIKeyDOXZHOUGNSQKCG-DVRYWGNFSA-N
MW217.74 g/mol
LogP2.41
Rot. Bonds4

About (2S,3S)-2-(2-chloroprop-2-enyl)-6-propylpiperidin-3-ol

(2S,3S)-2-(2-chloroprop-2-enyl)-6-propylpiperidin-3-ol (PubChem CID 166812063) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is (2S,3S)-2-(2-chloroprop-2-enyl)-6-propylpiperidin-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-(2-chloroprop-2-enyl)-6-propylpiperidin-3-ol
PubChem CID166812063
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name(2S,3S)-2-(2-chloroprop-2-enyl)-6-propylpiperidin-3-ol
SMILESC=C(Cl)C[C@@H]1NC(CCC)CC[C@@H]1O
InChIInChI=1S/C11H20ClNO/c1-3-4-9-5-6-11(14)10(13-9)7-8(2)12/h9-11,13-14H,2-7H2,1H3/t9?,10-,11-/m0/s1
InChIKeyDOXZHOUGNSQKCG-DVRYWGNFSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(2-chloroprop-2-enyl)-6-propylpiperidin-3-ol?
The IUPAC name of (2S,3S)-2-(2-chloroprop-2-enyl)-6-propylpiperidin-3-ol (CID 166812063) is (2S,3S)-2-(2-chloroprop-2-enyl)-6-propylpiperidin-3-ol.
What is the SMILES notation for (2S,3S)-2-(2-chloroprop-2-enyl)-6-propylpiperidin-3-ol?
The canonical SMILES for (2S,3S)-2-(2-chloroprop-2-enyl)-6-propylpiperidin-3-ol is C=C(Cl)C[C@@H]1NC(CCC)CC[C@@H]1O.
What is the InChIKey of (2S,3S)-2-(2-chloroprop-2-enyl)-6-propylpiperidin-3-ol?
The InChIKey is DOXZHOUGNSQKCG-DVRYWGNFSA-N. The full InChI is InChI=1S/C11H20ClNO/c1-3-4-9-5-6-11(14)10(13-9)7-8(2)12/h9-11,13-14H,2-7H2,1H3/t9?,10-,11-/m0/s1.
What are the key properties of (2S,3S)-2-(2-chloroprop-2-enyl)-6-propylpiperidin-3-ol?
(2S,3S)-2-(2-chloroprop-2-enyl)-6-propylpiperidin-3-ol has a molecular weight of 217.74 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(2-chloroprop-2-enyl)-6-propylpiperidin-3-ol is sourced from PubChem (CID 166812063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).