(2R,3S)-3-methyl-2-piperidin-1-ylhex-5-en-3-ol

C12H23NO — CID 178185652

IUPAC(2R,3S)-3-methyl-2-piperidin-1-ylhex-5-en-3-ol
SMILESC=CC[C@](C)(O)[C@@H](C)N1CCCCC1
InChIInChI=1S/C12H23NO/c1-4-8-12(3,14)11(2)13-9-6-5-7-10-13/h4,11,14H,1,5-10H2,2-3H3/t11-,12+/m1/s1
InChIKeyRDUBUZRGDJOBMM-NEPJUHHUSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds4

About (2R,3S)-3-methyl-2-piperidin-1-ylhex-5-en-3-ol

(2R,3S)-3-methyl-2-piperidin-1-ylhex-5-en-3-ol (PubChem CID 178185652) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (2R,3S)-3-methyl-2-piperidin-1-ylhex-5-en-3-ol.

Molecular Properties

Compound Name(2R,3S)-3-methyl-2-piperidin-1-ylhex-5-en-3-ol
PubChem CID178185652
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(2R,3S)-3-methyl-2-piperidin-1-ylhex-5-en-3-ol
SMILESC=CC[C@](C)(O)[C@@H](C)N1CCCCC1
InChIInChI=1S/C12H23NO/c1-4-8-12(3,14)11(2)13-9-6-5-7-10-13/h4,11,14H,1,5-10H2,2-3H3/t11-,12+/m1/s1
InChIKeyRDUBUZRGDJOBMM-NEPJUHHUSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-(prop-2-en-1-yl)piperidin-4-ol
CID 1506157
1-(4-Fluoro-4-prop-2-enylpiperidin-1-yl)-2-methylpropan-2-ol
CID 144714353
1,2,5-Trimethyl-4-(prop-2-en-1-yl)piperidin-4-ol
CID 4912825
(Z)-2-methyl-3-piperidin-1-ylhex-4-en-2-ol
CID 164669056
(2R,3S)-3-methyl-2-(pyrrolidin-1-yl)hex-5-en-3-ol
CID 178185651
(2R,3S)-3-methyl-2-morpholinohex-5-en-3-ol
CID 178185653
(2R,3S)-3-methyl-2-thiomorpholinohex-5-en-3-ol
CID 178185654
(2R,3S)-2-(azepan-1-yl)-3-methylhex-5-en-3-ol
CID 178185656
1,3-Dimethyl-4-prop-2-enylpiperidin-4-ol
CID 4917707
1,1-Dimethyl-4-prop-2-enylpiperidin-1-ium-4-ol bromide
CID 24191827
1-(Methylethyl)-4-prop-2-enylpiperidin-4-ol
CID 5200463
4-Ethenyl-1-propan-2-ylpiperidin-4-ol
CID 65418858

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methyl-2-piperidin-1-ylhex-5-en-3-ol?
The IUPAC name of (2R,3S)-3-methyl-2-piperidin-1-ylhex-5-en-3-ol (CID 178185652) is (2R,3S)-3-methyl-2-piperidin-1-ylhex-5-en-3-ol.
What is the SMILES notation for (2R,3S)-3-methyl-2-piperidin-1-ylhex-5-en-3-ol?
The canonical SMILES for (2R,3S)-3-methyl-2-piperidin-1-ylhex-5-en-3-ol is C=CC[C@](C)(O)[C@@H](C)N1CCCCC1.
What is the InChIKey of (2R,3S)-3-methyl-2-piperidin-1-ylhex-5-en-3-ol?
The InChIKey is RDUBUZRGDJOBMM-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-8-12(3,14)11(2)13-9-6-5-7-10-13/h4,11,14H,1,5-10H2,2-3H3/t11-,12+/m1/s1.
What are the key properties of (2R,3S)-3-methyl-2-piperidin-1-ylhex-5-en-3-ol?
(2R,3S)-3-methyl-2-piperidin-1-ylhex-5-en-3-ol has a molecular weight of 197.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methyl-2-piperidin-1-ylhex-5-en-3-ol is sourced from PubChem (CID 178185652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).