[(3S)-1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-3-yl]methanol

C15H29NO — CID 51980420

IUPAC[(3S)-1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-3-yl]methanol
SMILESCC(C)=CCC[C@H](C)CN1CCC[C@H](CO)C1
InChIInChI=1S/C15H29NO/c1-13(2)6-4-7-14(3)10-16-9-5-8-15(11-16)12-17/h6,14-15,17H,4-5,7-12H2,1-3H3/t14-,15-/m0/s1
InChIKeyFWFISHFNIWPLMS-GJZGRUSLSA-N
MW239.40 g/mol
LogP3.07
Rot. Bonds6

About [(3S)-1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-3-yl]methanol

[(3S)-1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-3-yl]methanol (PubChem CID 51980420) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is [(3S)-1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-3-yl]methanol
PubChem CID51980420
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name[(3S)-1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-3-yl]methanol
SMILESCC(C)=CCC[C@H](C)CN1CCC[C@H](CO)C1
InChIInChI=1S/C15H29NO/c1-13(2)6-4-7-14(3)10-16-9-5-8-15(11-16)12-17/h6,14-15,17H,4-5,7-12H2,1-3H3/t14-,15-/m0/s1
InChIKeyFWFISHFNIWPLMS-GJZGRUSLSA-N
XLogP3.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.07
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-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol
CID 64867957
(3S)-4-[3-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-2-one
CID 90039477
[1-(2-ethylbutyl)piperidin-3-yl]methanol
CID 82931010
1-[(2R)-2,6-dimethylhept-5-enyl]piperidine-4-carboxamide
CID 26458004
3-[1-(2,6-dimethylhept-5-enyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 45249688
[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]methanol
CID 112628032
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496
[(3R)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]methanol
CID 129425520
[(3R)-1-(cyclooctylmethyl)piperidin-3-yl]methanol
CID 91565820
[1-(cyclohexylmethyl)piperidin-3-yl]methanol
CID 3488104
2-[2-[4-[(2S)-2,6-dimethylhept-5-enyl]piperazin-1-yl]ethoxy]ethanol
CID 7013674
1-[(2R)-2,6-dimethylhept-5-enyl]-4-(4-fluorophenyl)piperazine
CID 756886

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-3-yl]methanol (CID 51980420) is [(3S)-1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-3-yl]methanol is CC(C)=CCC[C@H](C)CN1CCC[C@H](CO)C1.
What is the InChIKey of [(3S)-1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-3-yl]methanol?
The InChIKey is FWFISHFNIWPLMS-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H29NO/c1-13(2)6-4-7-14(3)10-16-9-5-8-15(11-16)12-17/h6,14-15,17H,4-5,7-12H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of [(3S)-1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-3-yl]methanol?
[(3S)-1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-3-yl]methanol has a molecular weight of 239.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-3-yl]methanol is sourced from PubChem (CID 51980420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).