1-[(2S,6S)-6-methylpiperidin-2-yl]nonan-3-ol

C15H31NO — CID 57359655

IUPAC1-[(2S,6S)-6-methylpiperidin-2-yl]nonan-3-ol
SMILESCCCCCCC(O)CC[C@@H]1CCC[C@H](C)N1
InChIInChI=1S/C15H31NO/c1-3-4-5-6-10-15(17)12-11-14-9-7-8-13(2)16-14/h13-17H,3-12H2,1-2H3/t13-,14-,15?/m0/s1
InChIKeyXMQISTWKAYJRTI-ZYOSVBKOSA-N
MW241.42 g/mol
LogP3.63
Rot. Bonds8

About 1-[(2S,6S)-6-methylpiperidin-2-yl]nonan-3-ol

1-[(2S,6S)-6-methylpiperidin-2-yl]nonan-3-ol (PubChem CID 57359655) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-[(2S,6S)-6-methylpiperidin-2-yl]nonan-3-ol.

Molecular Properties

Compound Name1-[(2S,6S)-6-methylpiperidin-2-yl]nonan-3-ol
PubChem CID57359655
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-[(2S,6S)-6-methylpiperidin-2-yl]nonan-3-ol
SMILESCCCCCCC(O)CC[C@@H]1CCC[C@H](C)N1
InChIInChI=1S/C15H31NO/c1-3-4-5-6-10-15(17)12-11-14-9-7-8-13(2)16-14/h13-17H,3-12H2,1-2H3/t13-,14-,15?/m0/s1
InChIKeyXMQISTWKAYJRTI-ZYOSVBKOSA-N
XLogP3.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Piperidin-2-yl)propan-1-ol
CID 10314
(+)-5-Deoxyadeenophorine
CID 10559165
Sedridine
CID 164633
1-(Cyclohexylamino)hexadecan-2-ol
CID 10337278
(2R,3S,4S,5R)-2-nonylpiperidine-3,4,5-triol
CID 11988371
1-(Propan-2-ylamino)hexadecan-2-ol
CID 20261248
(2R,3S,4S,5R)-2-hexylpiperidine-3,4,5-triol
CID 46866608
alpha-1-C-ethyl-fagomine
CID 10329822
(3S,6S)-6-Propyl-3-piperidinol
CID 120641
Conhydrine
CID 11744748
1-(1-Methylpiperidin-2-yl)propan-2-ol
CID 11972082
1-(Piperidin-2-yl)ethan-1-ol
CID 335682

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6S)-6-methylpiperidin-2-yl]nonan-3-ol?
The IUPAC name of 1-[(2S,6S)-6-methylpiperidin-2-yl]nonan-3-ol (CID 57359655) is 1-[(2S,6S)-6-methylpiperidin-2-yl]nonan-3-ol.
What is the SMILES notation for 1-[(2S,6S)-6-methylpiperidin-2-yl]nonan-3-ol?
The canonical SMILES for 1-[(2S,6S)-6-methylpiperidin-2-yl]nonan-3-ol is CCCCCCC(O)CC[C@@H]1CCC[C@H](C)N1.
What is the InChIKey of 1-[(2S,6S)-6-methylpiperidin-2-yl]nonan-3-ol?
The InChIKey is XMQISTWKAYJRTI-ZYOSVBKOSA-N. The full InChI is InChI=1S/C15H31NO/c1-3-4-5-6-10-15(17)12-11-14-9-7-8-13(2)16-14/h13-17H,3-12H2,1-2H3/t13-,14-,15?/m0/s1.
What are the key properties of 1-[(2S,6S)-6-methylpiperidin-2-yl]nonan-3-ol?
1-[(2S,6S)-6-methylpiperidin-2-yl]nonan-3-ol has a molecular weight of 241.42 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6S)-6-methylpiperidin-2-yl]nonan-3-ol is sourced from PubChem (CID 57359655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).