(1-hept-6-enylpiperidin-4-yl)methanol

C13H25NO — CID 107010081

IUPAC(1-hept-6-enylpiperidin-4-yl)methanol
SMILESC=CCCCCCN1CCC(CO)CC1
InChIInChI=1S/C13H25NO/c1-2-3-4-5-6-9-14-10-7-13(12-15)8-11-14/h2,13,15H,1,3-12H2
InChIKeyMQDHPHIXOHONPV-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.44
Rot. Bonds7

About (1-hept-6-enylpiperidin-4-yl)methanol

(1-hept-6-enylpiperidin-4-yl)methanol (PubChem CID 107010081) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is (1-hept-6-enylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name(1-hept-6-enylpiperidin-4-yl)methanol
PubChem CID107010081
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name(1-hept-6-enylpiperidin-4-yl)methanol
SMILESC=CCCCCCN1CCC(CO)CC1
InChIInChI=1S/C13H25NO/c1-2-3-4-5-6-9-14-10-7-13(12-15)8-11-14/h2,13,15H,1,3-12H2
InChIKeyMQDHPHIXOHONPV-UHFFFAOYSA-N
XLogP2.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
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

1-(3-Cyclohexen-1-ylmethyl)-3-piperidinol
CID 2845911
2,2,2-Trifluoro-1-(1-hept-6-en-2-ylpiperidin-4-yl)ethanol
CID 109967149
2,2,2-Trifluoro-1-(1-pent-4-enylpiperidin-4-yl)ethanol
CID 112327040
1-(1-But-3-enylpiperidin-4-yl)-2,2,2-trifluoroethanol
CID 112327097
(1-Phosphanyl-4-prop-2-enylpiperidin-4-yl)methanol
CID 58683612
Lanthanum;(4-prop-2-enylpiperidin-1-id-4-yl)methanol
CID 59312011
1-Methyl-3-prop-2-enylpiperidin-4-ol
CID 59827004
1-Allyl-4-hydroxymethylpiperidine
CID 60768656
(1-But-3-en-2-ylpiperidin-4-yl)methanol
CID 61517704
[1-(Cyclohex-3-en-1-ylmethyl)piperidin-4-yl]methanol
CID 68199887
(1-Methyl-3-methylidenepiperidin-4-yl)methanol
CID 68317478
2-(4-Ethenylpiperidin-1-yl)ethanol
CID 123939312

Frequently Asked Questions

What is the IUPAC name of (1-hept-6-enylpiperidin-4-yl)methanol?
The IUPAC name of (1-hept-6-enylpiperidin-4-yl)methanol (CID 107010081) is (1-hept-6-enylpiperidin-4-yl)methanol.
What is the SMILES notation for (1-hept-6-enylpiperidin-4-yl)methanol?
The canonical SMILES for (1-hept-6-enylpiperidin-4-yl)methanol is C=CCCCCCN1CCC(CO)CC1.
What is the InChIKey of (1-hept-6-enylpiperidin-4-yl)methanol?
The InChIKey is MQDHPHIXOHONPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-3-4-5-6-9-14-10-7-13(12-15)8-11-14/h2,13,15H,1,3-12H2.
What are the key properties of (1-hept-6-enylpiperidin-4-yl)methanol?
(1-hept-6-enylpiperidin-4-yl)methanol has a molecular weight of 211.35 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hept-6-enylpiperidin-4-yl)methanol is sourced from PubChem (CID 107010081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).