2-(piperidin-4-ylmethyl)prop-2-en-1-ol

C9H17NO — CID 117266657

IUPAC2-(piperidin-4-ylmethyl)prop-2-en-1-ol
SMILESC=C(CO)CC1CCNCC1
InChIInChI=1S/C9H17NO/c1-8(7-11)6-9-2-4-10-5-3-9/h9-11H,1-7H2
InChIKeyNJLAUJLMSYWQGX-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.92
Rot. Bonds3

About 2-(piperidin-4-ylmethyl)prop-2-en-1-ol

2-(piperidin-4-ylmethyl)prop-2-en-1-ol (PubChem CID 117266657) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethyl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(piperidin-4-ylmethyl)prop-2-en-1-ol
PubChem CID117266657
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(piperidin-4-ylmethyl)prop-2-en-1-ol
SMILESC=C(CO)CC1CCNCC1
InChIInChI=1S/C9H17NO/c1-8(7-11)6-9-2-4-10-5-3-9/h9-11H,1-7H2
InChIKeyNJLAUJLMSYWQGX-UHFFFAOYSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Methylidenepiperidin-4-yl)ethanol
CID 22928791
2-Methyl-1-piperidin-3-ylprop-2-en-1-ol
CID 80559018
2-(Piperidin-4-yl)prop-2-en-1-ol
CID 89139621
3-Piperidin-4-ylbut-3-en-1-ol
CID 117268286
5-Piperidin-4-ylpent-1-en-3-ol
CID 118964334
2-(Piperidin-4-ylmethyl)but-3-en-1-ol
CID 142260790
[4-(2-Methylprop-2-enyl)piperidin-4-yl]methanol
CID 156796666
6-(Ethylamino)-3,3,5,5-tetramethyl-2-methylidenehexan-1-ol
CID 163982710
4-Piperidin-4-ylpent-4-en-2-ol
CID 169595340
2-Methyl-1-piperidin-4-ylprop-2-en-1-ol
CID 80560364
3-[(2-Methylidenebutylamino)methyl]hexan-1-ol
CID 106115164
3-[(3-Methylbut-3-enylamino)methyl]hexan-1-ol
CID 106115291

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethyl)prop-2-en-1-ol?
The IUPAC name of 2-(piperidin-4-ylmethyl)prop-2-en-1-ol (CID 117266657) is 2-(piperidin-4-ylmethyl)prop-2-en-1-ol.
What is the SMILES notation for 2-(piperidin-4-ylmethyl)prop-2-en-1-ol?
The canonical SMILES for 2-(piperidin-4-ylmethyl)prop-2-en-1-ol is C=C(CO)CC1CCNCC1.
What is the InChIKey of 2-(piperidin-4-ylmethyl)prop-2-en-1-ol?
The InChIKey is NJLAUJLMSYWQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(7-11)6-9-2-4-10-5-3-9/h9-11H,1-7H2.
What are the key properties of 2-(piperidin-4-ylmethyl)prop-2-en-1-ol?
2-(piperidin-4-ylmethyl)prop-2-en-1-ol has a molecular weight of 155.24 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethyl)prop-2-en-1-ol is sourced from PubChem (CID 117266657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).