[4-(prop-2-enylamino)piperidin-1-yl]methanol

C9H18N2O — CID 143836506

IUPAC[4-(prop-2-enylamino)piperidin-1-yl]methanol
SMILESC=CCNC1CCN(CO)CC1
InChIInChI=1S/C9H18N2O/c1-2-5-10-9-3-6-11(8-12)7-4-9/h2,9-10,12H,1,3-8H2
InChIKeyOMVAZPNCKGGJMZ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.18
Rot. Bonds4

About [4-(prop-2-enylamino)piperidin-1-yl]methanol

[4-(prop-2-enylamino)piperidin-1-yl]methanol (PubChem CID 143836506) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is [4-(prop-2-enylamino)piperidin-1-yl]methanol.

Molecular Properties

Compound Name[4-(prop-2-enylamino)piperidin-1-yl]methanol
PubChem CID143836506
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name[4-(prop-2-enylamino)piperidin-1-yl]methanol
SMILESC=CCNC1CCN(CO)CC1
InChIInChI=1S/C9H18N2O/c1-2-5-10-9-3-6-11(8-12)7-4-9/h2,9-10,12H,1,3-8H2
InChIKeyOMVAZPNCKGGJMZ-UHFFFAOYSA-N
XLogP0.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(prop-2-enylamino)piperidin-1-yl]methanol?
The IUPAC name of [4-(prop-2-enylamino)piperidin-1-yl]methanol (CID 143836506) is [4-(prop-2-enylamino)piperidin-1-yl]methanol.
What is the SMILES notation for [4-(prop-2-enylamino)piperidin-1-yl]methanol?
The canonical SMILES for [4-(prop-2-enylamino)piperidin-1-yl]methanol is C=CCNC1CCN(CO)CC1.
What is the InChIKey of [4-(prop-2-enylamino)piperidin-1-yl]methanol?
The InChIKey is OMVAZPNCKGGJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-5-10-9-3-6-11(8-12)7-4-9/h2,9-10,12H,1,3-8H2.
What are the key properties of [4-(prop-2-enylamino)piperidin-1-yl]methanol?
[4-(prop-2-enylamino)piperidin-1-yl]methanol has a molecular weight of 170.26 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(prop-2-enylamino)piperidin-1-yl]methanol is sourced from PubChem (CID 143836506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).