(3S)-3-prop-2-enylpiperidin-3-ol

C8H15NO — CID 177330119

IUPAC(3S)-3-prop-2-enylpiperidin-3-ol
SMILESC=CC[C@@]1(O)CCCNC1
InChIInChI=1S/C8H15NO/c1-2-4-8(10)5-3-6-9-7-8/h2,9-10H,1,3-7H2/t8-/m1/s1
InChIKeyMTJFOPDZSRDFFG-MRVPVSSYSA-N
MW141.21 g/mol
LogP0.68
Rot. Bonds2

About (3S)-3-prop-2-enylpiperidin-3-ol

(3S)-3-prop-2-enylpiperidin-3-ol (PubChem CID 177330119) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3S)-3-prop-2-enylpiperidin-3-ol.

Molecular Properties

Compound Name(3S)-3-prop-2-enylpiperidin-3-ol
PubChem CID177330119
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3S)-3-prop-2-enylpiperidin-3-ol
SMILESC=CC[C@@]1(O)CCCNC1
InChIInChI=1S/C8H15NO/c1-2-4-8(10)5-3-6-9-7-8/h2,9-10H,1,3-7H2/t8-/m1/s1
InChIKeyMTJFOPDZSRDFFG-MRVPVSSYSA-N
XLogP0.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Prop-2-en-1-yl)piperidin-4-ol
CID 1504802
4-[3-[(4-Hydroxy-4-prop-2-enylhept-6-enyl)amino]propyl]hepta-1,6-dien-4-ol
CID 87691664
4-Prop-2-enylpiperidin-3-ol
CID 89139617
4-(2-Methylprop-2-en-1-yl)piperidin-4-ol
CID 123241473
4-But-3-enylpiperidin-4-ol
CID 123326470
3-But-3-enylpiperidin-3-ol
CID 130835884
(3R,6R)-6-ethenyl-3-methylpiperidin-3-ol
CID 178106236
4-Prop-2-enylpiperidin-1-ium-4-ol
CID 7320723
4-Piperidin-2-ylhepta-1,6-dien-4-ol
CID 23007806
1-[(Pent-4-enylamino)methyl]cyclohexan-1-ol
CID 65108686
1-[(Pent-4-enylamino)methyl]cyclopentan-1-ol
CID 65111065
3-Ethenylpiperidin-3-ol
CID 65416047

Frequently Asked Questions

What is the IUPAC name of (3S)-3-prop-2-enylpiperidin-3-ol?
The IUPAC name of (3S)-3-prop-2-enylpiperidin-3-ol (CID 177330119) is (3S)-3-prop-2-enylpiperidin-3-ol.
What is the SMILES notation for (3S)-3-prop-2-enylpiperidin-3-ol?
The canonical SMILES for (3S)-3-prop-2-enylpiperidin-3-ol is C=CC[C@@]1(O)CCCNC1.
What is the InChIKey of (3S)-3-prop-2-enylpiperidin-3-ol?
The InChIKey is MTJFOPDZSRDFFG-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-4-8(10)5-3-6-9-7-8/h2,9-10H,1,3-7H2/t8-/m1/s1.
What are the key properties of (3S)-3-prop-2-enylpiperidin-3-ol?
(3S)-3-prop-2-enylpiperidin-3-ol has a molecular weight of 141.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-prop-2-enylpiperidin-3-ol is sourced from PubChem (CID 177330119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).