[5-[cyclopropyl(prop-2-enyl)amino]piperidin-3-yl]methanol;ethane

C14H28N2O — CID 176713167

IUPAC[5-[cyclopropyl(prop-2-enyl)amino]piperidin-3-yl]methanol;ethane
SMILESC=CCN(C1CC1)C1CNCC(CO)C1.CC
InChIInChI=1S/C12H22N2O.C2H6/c1-2-5-14(11-3-4-11)12-6-10(9-15)7-13-8-12;1-2/h2,10-13,15H,1,3-9H2;1-2H3
InChIKeyVGQMLDJINQTAAO-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.63
Rot. Bonds5

About [5-[cyclopropyl(prop-2-enyl)amino]piperidin-3-yl]methanol;ethane

[5-[cyclopropyl(prop-2-enyl)amino]piperidin-3-yl]methanol;ethane (PubChem CID 176713167) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is [5-[cyclopropyl(prop-2-enyl)amino]piperidin-3-yl]methanol;ethane.

Molecular Properties

Compound Name[5-[cyclopropyl(prop-2-enyl)amino]piperidin-3-yl]methanol;ethane
PubChem CID176713167
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name[5-[cyclopropyl(prop-2-enyl)amino]piperidin-3-yl]methanol;ethane
SMILESC=CCN(C1CC1)C1CNCC(CO)C1.CC
InChIInChI=1S/C12H22N2O.C2H6/c1-2-5-14(11-3-4-11)12-6-10(9-15)7-13-8-12;1-2/h2,10-13,15H,1,3-9H2;1-2H3
InChIKeyVGQMLDJINQTAAO-UHFFFAOYSA-N
XLogP1.63
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;5-(hydroxymethyl)piperidin-3-ol
CID 143590323
[(3S,5R)-5-methylpiperidin-3-yl]methanol;hydrochloride
CID 166104604
(5-methoxypiperidin-3-yl)methanol
CID 166104648
(3R,5S)-5-(hydroxymethyl)piperidin-3-ol
CID 55287998
(3S)-5-(hydroxymethyl)piperidin-3-ol
CID 59011067
6-(hydroxymethyl)azepan-4-ol
CID 164538726
[(3R,5S)-5-fluoropiperidin-3-yl]methanol
CID 96532394
(3R,4S,6S)-6-(hydroxymethyl)azepane-3,4-diol
CID 10997956
N-ethyl-N-(3-ethylcyclopentyl)azetidin-3-amine
CID 66181854
1,4,7-triazecan-9-ylmethanol
CID 102398679
(5-cyclohexylpiperidin-3-yl)methanol
CID 83915896
piperidin-3-ylmethanol
CID 161361606

Frequently Asked Questions

What is the IUPAC name of [5-[cyclopropyl(prop-2-enyl)amino]piperidin-3-yl]methanol;ethane?
The IUPAC name of [5-[cyclopropyl(prop-2-enyl)amino]piperidin-3-yl]methanol;ethane (CID 176713167) is [5-[cyclopropyl(prop-2-enyl)amino]piperidin-3-yl]methanol;ethane.
What is the SMILES notation for [5-[cyclopropyl(prop-2-enyl)amino]piperidin-3-yl]methanol;ethane?
The canonical SMILES for [5-[cyclopropyl(prop-2-enyl)amino]piperidin-3-yl]methanol;ethane is C=CCN(C1CC1)C1CNCC(CO)C1.CC.
What is the InChIKey of [5-[cyclopropyl(prop-2-enyl)amino]piperidin-3-yl]methanol;ethane?
The InChIKey is VGQMLDJINQTAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.C2H6/c1-2-5-14(11-3-4-11)12-6-10(9-15)7-13-8-12;1-2/h2,10-13,15H,1,3-9H2;1-2H3.
What are the key properties of [5-[cyclopropyl(prop-2-enyl)amino]piperidin-3-yl]methanol;ethane?
[5-[cyclopropyl(prop-2-enyl)amino]piperidin-3-yl]methanol;ethane has a molecular weight of 240.39 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[cyclopropyl(prop-2-enyl)amino]piperidin-3-yl]methanol;ethane is sourced from PubChem (CID 176713167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).