lanthanum;(4-prop-2-enylpiperidin-1-id-4-yl)methanol

C9H16LaNO- — CID 59312011

IUPAClanthanum;(4-prop-2-enylpiperidin-1-id-4-yl)methanol
SMILESC=CCC1(CO)CC[N-]CC1.[La]
InChIInChI=1S/C9H16NO.La/c1-2-3-9(8-11)4-6-10-7-5-9;/h2,11H,1,3-8H2;/q-1;
InChIKeyVQAMAQFHAANJGU-UHFFFAOYSA-N
MW293.14 g/mol
LogP1.71
Rot. Bonds3

About lanthanum;(4-prop-2-enylpiperidin-1-id-4-yl)methanol

lanthanum;(4-prop-2-enylpiperidin-1-id-4-yl)methanol (PubChem CID 59312011) has the molecular formula C9H16LaNO- and a molecular weight of 293.14 g/mol. Its IUPAC name is lanthanum;(4-prop-2-enylpiperidin-1-id-4-yl)methanol.

Molecular Properties

Compound Namelanthanum;(4-prop-2-enylpiperidin-1-id-4-yl)methanol
PubChem CID59312011
Molecular FormulaC9H16LaNO-
Molecular Weight293.14 g/mol
Exact Mass293.03
IUPAC Namelanthanum;(4-prop-2-enylpiperidin-1-id-4-yl)methanol
SMILESC=CCC1(CO)CC[N-]CC1.[La]
InChIInChI=1S/C9H16NO.La/c1-2-3-9(8-11)4-6-10-7-5-9;/h2,11H,1,3-8H2;/q-1;
InChIKeyVQAMAQFHAANJGU-UHFFFAOYSA-N
XLogP1.71
TPSA34.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.14
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1-Phosphanyl-4-prop-2-enylpiperidin-4-yl)methanol
CID 58683612
Lanthanum;4-(methoxymethyl)-4-prop-2-enylpiperidin-1-ide
CID 59312076
[1-Methyl-4-(prop-2-en-1-yl)piperidin-4-yl]methanol
CID 143739834
(4-Ethenyl-1-pentylpiperidin-4-yl)methanol
CID 167131750
(4-Prop-2-enylpiperidin-4-yl)methanol
CID 59312012
(1-Pent-4-enylpiperidin-4-yl)methanol
CID 64297050
(1-But-3-enylpiperidin-4-yl)methanol
CID 64297265
[1-(3-Methylhex-5-en-2-yl)piperidin-4-yl]methanol
CID 104168145
[4-Methyl-1-(3-methylhex-5-en-2-yl)piperidin-4-yl]methanol
CID 104695294
(1-Hept-6-enylpiperidin-4-yl)methanol
CID 107010081
(4-Ethyl-1-hept-6-en-2-ylpiperidin-4-yl)methanol
CID 109967404
(1-But-3-en-2-yl-4-methylpiperidin-4-yl)methanol
CID 127000307

Frequently Asked Questions

What is the IUPAC name of lanthanum;(4-prop-2-enylpiperidin-1-id-4-yl)methanol?
The IUPAC name of lanthanum;(4-prop-2-enylpiperidin-1-id-4-yl)methanol (CID 59312011) is lanthanum;(4-prop-2-enylpiperidin-1-id-4-yl)methanol.
What is the SMILES notation for lanthanum;(4-prop-2-enylpiperidin-1-id-4-yl)methanol?
The canonical SMILES for lanthanum;(4-prop-2-enylpiperidin-1-id-4-yl)methanol is C=CCC1(CO)CC[N-]CC1.[La].
What is the InChIKey of lanthanum;(4-prop-2-enylpiperidin-1-id-4-yl)methanol?
The InChIKey is VQAMAQFHAANJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16NO.La/c1-2-3-9(8-11)4-6-10-7-5-9;/h2,11H,1,3-8H2;/q-1;.
What are the key properties of lanthanum;(4-prop-2-enylpiperidin-1-id-4-yl)methanol?
lanthanum;(4-prop-2-enylpiperidin-1-id-4-yl)methanol has a molecular weight of 293.14 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lanthanum;(4-prop-2-enylpiperidin-1-id-4-yl)methanol is sourced from PubChem (CID 59312011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).