[1-(5-chloro-2-pyridinyl)-3-prop-2-enylpiperidin-3-yl]methanol

C14H19ClN2O — CID 72901356

IUPAC[1-(5-chloro-2-pyridinyl)-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CCC1(CO)CCCN(c2ccc(Cl)cn2)C1
InChIInChI=1S/C14H19ClN2O/c1-2-6-14(11-18)7-3-8-17(10-14)13-5-4-12(15)9-16-13/h2,4-5,9,18H,1,3,6-8,10-11H2
InChIKeyRXUDRDCBMFEXTB-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.89
Rot. Bonds4

About [1-(5-chloro-2-pyridinyl)-3-prop-2-enylpiperidin-3-yl]methanol

[1-(5-chloro-2-pyridinyl)-3-prop-2-enylpiperidin-3-yl]methanol (PubChem CID 72901356) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is [1-(5-chloro-2-pyridinyl)-3-prop-2-enylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(5-chloro-2-pyridinyl)-3-prop-2-enylpiperidin-3-yl]methanol
PubChem CID72901356
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name[1-(5-chloro-2-pyridinyl)-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CCC1(CO)CCCN(c2ccc(Cl)cn2)C1
InChIInChI=1S/C14H19ClN2O/c1-2-6-14(11-18)7-3-8-17(10-14)13-5-4-12(15)9-16-13/h2,4-5,9,18H,1,3,6-8,10-11H2
InChIKeyRXUDRDCBMFEXTB-UHFFFAOYSA-N
XLogP2.89
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.89
H-Bond Donors ≤ 51
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 [1-(5-chloro-2-pyridinyl)-3-prop-2-enylpiperidin-3-yl]methanol?
The IUPAC name of [1-(5-chloro-2-pyridinyl)-3-prop-2-enylpiperidin-3-yl]methanol (CID 72901356) is [1-(5-chloro-2-pyridinyl)-3-prop-2-enylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(5-chloro-2-pyridinyl)-3-prop-2-enylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(5-chloro-2-pyridinyl)-3-prop-2-enylpiperidin-3-yl]methanol is C=CCC1(CO)CCCN(c2ccc(Cl)cn2)C1.
What is the InChIKey of [1-(5-chloro-2-pyridinyl)-3-prop-2-enylpiperidin-3-yl]methanol?
The InChIKey is RXUDRDCBMFEXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-2-6-14(11-18)7-3-8-17(10-14)13-5-4-12(15)9-16-13/h2,4-5,9,18H,1,3,6-8,10-11H2.
What are the key properties of [1-(5-chloro-2-pyridinyl)-3-prop-2-enylpiperidin-3-yl]methanol?
[1-(5-chloro-2-pyridinyl)-3-prop-2-enylpiperidin-3-yl]methanol has a molecular weight of 266.77 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-pyridinyl)-3-prop-2-enylpiperidin-3-yl]methanol is sourced from PubChem (CID 72901356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).