3-[(2S,3R,6R)-3-methyl-6-pent-4-enylpiperidin-2-yl]propan-1-ol

C14H27NO — CID 10466239

IUPAC3-[(2S,3R,6R)-3-methyl-6-pent-4-enylpiperidin-2-yl]propan-1-ol
SMILESC=CCCC[C@@H]1CC[C@@H](C)[C@H](CCCO)N1
InChIInChI=1S/C14H27NO/c1-3-4-5-7-13-10-9-12(2)14(15-13)8-6-11-16/h3,12-16H,1,4-11H2,2H3/t12-,13-,14+/m1/s1
InChIKeyCSCYBTSYDQYCHD-MCIONIFRSA-N
MW225.38 g/mol
LogP2.87
Rot. Bonds7

About 3-[(2S,3R,6R)-3-methyl-6-pent-4-enylpiperidin-2-yl]propan-1-ol

3-[(2S,3R,6R)-3-methyl-6-pent-4-enylpiperidin-2-yl]propan-1-ol (PubChem CID 10466239) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-[(2S,3R,6R)-3-methyl-6-pent-4-enylpiperidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(2S,3R,6R)-3-methyl-6-pent-4-enylpiperidin-2-yl]propan-1-ol
PubChem CID10466239
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-[(2S,3R,6R)-3-methyl-6-pent-4-enylpiperidin-2-yl]propan-1-ol
SMILESC=CCCC[C@@H]1CC[C@@H](C)[C@H](CCCO)N1
InChIInChI=1S/C14H27NO/c1-3-4-5-7-13-10-9-12(2)14(15-13)8-6-11-16/h3,12-16H,1,4-11H2,2H3/t12-,13-,14+/m1/s1
InChIKeyCSCYBTSYDQYCHD-MCIONIFRSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4R,5S,6S)-6-but-3-enyl-2-(hydroxymethyl)-5-methylpiperidine-3,4-diol
CID 46906931
[(2S,3S)-3-ethenylpiperidin-2-yl]methanol
CID 89269282
3-[2-[[(3R)-4-methylpent-1-en-3-yl]amino]propan-2-yl]cyclohexan-1-ol
CID 122500309
3-Cyclohex-2-en-1-yl-2-(propan-2-ylamino)propan-1-ol
CID 126517201
1-(Methylamino)-5-(4-methylcyclohexyl)hept-6-en-1-ol
CID 137419450
2-(Piperidin-4-ylmethyl)but-3-en-1-ol
CID 142260790
2,5-Bis(prop-2-enyl)piperidin-4-ol
CID 156496586
1-ethyl-2,3,4,4a,5,6,9,9a-octahydro-1H-cyclohepta[c]pyridin-3-ol
CID 164001452
(2-Ethenylpiperidin-4-yl)methanol
CID 174637748
3-[(2S,3R,6R)-6-hept-6-enyl-3-methylpiperidin-2-yl]propan-1-ol
CID 10060837
(2R,3R,6R)-6-(2-methylpropyl)-2-prop-2-enylpiperidin-1-ium-3-ol
CID 21607941
(2R,3R,6R)-6-(2-methylpropyl)-2-prop-2-enylpiperidin-3-ol
CID 21607942

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3R,6R)-3-methyl-6-pent-4-enylpiperidin-2-yl]propan-1-ol?
The IUPAC name of 3-[(2S,3R,6R)-3-methyl-6-pent-4-enylpiperidin-2-yl]propan-1-ol (CID 10466239) is 3-[(2S,3R,6R)-3-methyl-6-pent-4-enylpiperidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[(2S,3R,6R)-3-methyl-6-pent-4-enylpiperidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[(2S,3R,6R)-3-methyl-6-pent-4-enylpiperidin-2-yl]propan-1-ol is C=CCCC[C@@H]1CC[C@@H](C)[C@H](CCCO)N1.
What is the InChIKey of 3-[(2S,3R,6R)-3-methyl-6-pent-4-enylpiperidin-2-yl]propan-1-ol?
The InChIKey is CSCYBTSYDQYCHD-MCIONIFRSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-4-5-7-13-10-9-12(2)14(15-13)8-6-11-16/h3,12-16H,1,4-11H2,2H3/t12-,13-,14+/m1/s1.
What are the key properties of 3-[(2S,3R,6R)-3-methyl-6-pent-4-enylpiperidin-2-yl]propan-1-ol?
3-[(2S,3R,6R)-3-methyl-6-pent-4-enylpiperidin-2-yl]propan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3R,6R)-3-methyl-6-pent-4-enylpiperidin-2-yl]propan-1-ol is sourced from PubChem (CID 10466239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).