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

C9H18NOP — CID 58683612

IUPAC(1-phosphanyl-4-prop-2-enylpiperidin-4-yl)methanol
SMILESC=CCC1(CO)CCN(P)CC1
InChIInChI=1S/C9H18NOP/c1-2-3-9(8-11)4-6-10(12)7-5-9/h2,11H,1,3-8,12H2
InChIKeyQLDSDOVWKADQCX-UHFFFAOYSA-N
MW187.22 g/mol
LogP1.43
Rot. Bonds3

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

(1-phosphanyl-4-prop-2-enylpiperidin-4-yl)methanol (PubChem CID 58683612) has the molecular formula C9H18NOP and a molecular weight of 187.22 g/mol. Its IUPAC name is (1-phosphanyl-4-prop-2-enylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name(1-phosphanyl-4-prop-2-enylpiperidin-4-yl)methanol
PubChem CID58683612
Molecular FormulaC9H18NOP
Molecular Weight187.22 g/mol
Exact Mass187.11
IUPAC Name(1-phosphanyl-4-prop-2-enylpiperidin-4-yl)methanol
SMILESC=CCC1(CO)CCN(P)CC1
InChIInChI=1S/C9H18NOP/c1-2-3-9(8-11)4-6-10(12)7-5-9/h2,11H,1,3-8,12H2
InChIKeyQLDSDOVWKADQCX-UHFFFAOYSA-N
XLogP1.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-phosphanyl-4-prop-2-enylpiperidin-4-yl)methanol?
The IUPAC name of (1-phosphanyl-4-prop-2-enylpiperidin-4-yl)methanol (CID 58683612) is (1-phosphanyl-4-prop-2-enylpiperidin-4-yl)methanol.
What is the SMILES notation for (1-phosphanyl-4-prop-2-enylpiperidin-4-yl)methanol?
The canonical SMILES for (1-phosphanyl-4-prop-2-enylpiperidin-4-yl)methanol is C=CCC1(CO)CCN(P)CC1.
What is the InChIKey of (1-phosphanyl-4-prop-2-enylpiperidin-4-yl)methanol?
The InChIKey is QLDSDOVWKADQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NOP/c1-2-3-9(8-11)4-6-10(12)7-5-9/h2,11H,1,3-8,12H2.
What are the key properties of (1-phosphanyl-4-prop-2-enylpiperidin-4-yl)methanol?
(1-phosphanyl-4-prop-2-enylpiperidin-4-yl)methanol has a molecular weight of 187.22 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phosphanyl-4-prop-2-enylpiperidin-4-yl)methanol is sourced from PubChem (CID 58683612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).