(1-prop-2-enylpiperidin-4-yl)methanol

C9H17NO — CID 60768656

IUPAC(1-prop-2-enylpiperidin-4-yl)methanol
SMILESC=CCN1CCC(CO)CC1
InChIInChI=1S/C9H17NO/c1-2-5-10-6-3-9(8-11)4-7-10/h2,9,11H,1,3-8H2
InChIKeyFCKGGTLREDMJCX-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.88
Rot. Bonds3

About (1-prop-2-enylpiperidin-4-yl)methanol

(1-prop-2-enylpiperidin-4-yl)methanol (PubChem CID 60768656) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (1-prop-2-enylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name(1-prop-2-enylpiperidin-4-yl)methanol
PubChem CID60768656
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(1-prop-2-enylpiperidin-4-yl)methanol
SMILESC=CCN1CCC(CO)CC1
InChIInChI=1S/C9H17NO/c1-2-5-10-6-3-9(8-11)4-7-10/h2,9,11H,1,3-8H2
InChIKeyFCKGGTLREDMJCX-UHFFFAOYSA-N
XLogP0.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.88
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-prop-2-enylpyrrolidin-3-yl)methanol
CID 25219526
[1-(3,3-dichloroprop-2-enyl)piperidin-4-yl]methanol
CID 164655973
N-[(1-prop-2-enylpiperidin-4-yl)methyl]acetamide
CID 51116338
4-(hydroxymethyl)-1-prop-2-enylpiperidin-3-ol
CID 131131773
2-(4-prop-2-enylpiperazin-1-yl)ethanol
CID 4739633
1-(1-prop-2-enylpiperidin-4-yl)ethanone;hydrochloride
CID 159798252
[1-[2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl]piperidin-4-yl]methanol
CID 145107636
buta-1,3-diene;[4-(hydroxymethyl)cyclohexyl]methanol
CID 87532739
nitric acid;1-prop-2-enylpiperidin-4-ol
CID 70399026
4-piperidin-1-yl-1-prop-2-enylpiperidine
CID 51086783
2-(1-prop-2-enylpiperidin-3-yl)ethanol
CID 62356814
1-prop-2-enyl(213C)azinane
CID 173137320

Frequently Asked Questions

What is the IUPAC name of (1-prop-2-enylpiperidin-4-yl)methanol?
The IUPAC name of (1-prop-2-enylpiperidin-4-yl)methanol (CID 60768656) is (1-prop-2-enylpiperidin-4-yl)methanol.
What is the SMILES notation for (1-prop-2-enylpiperidin-4-yl)methanol?
The canonical SMILES for (1-prop-2-enylpiperidin-4-yl)methanol is C=CCN1CCC(CO)CC1.
What is the InChIKey of (1-prop-2-enylpiperidin-4-yl)methanol?
The InChIKey is FCKGGTLREDMJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-5-10-6-3-9(8-11)4-7-10/h2,9,11H,1,3-8H2.
What are the key properties of (1-prop-2-enylpiperidin-4-yl)methanol?
(1-prop-2-enylpiperidin-4-yl)methanol has a molecular weight of 155.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-prop-2-enylpiperidin-4-yl)methanol is sourced from PubChem (CID 60768656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).