(1-phthalazin-1-ylpiperidin-4-yl)methanol;hydrochloride

C14H18ClN3O — CID 140971986

IUPAC(1-phthalazin-1-ylpiperidin-4-yl)methanol;hydrochloride
SMILESCl.OCC1CCN(c2nncc3ccccc23)CC1
InChIInChI=1S/C14H17N3O.ClH/c18-10-11-5-7-17(8-6-11)14-13-4-2-1-3-12(13)9-15-16-14;/h1-4,9,11,18H,5-8,10H2;1H
InChIKeyASYXKIDEILSMAH-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.26
Rot. Bonds2

About (1-phthalazin-1-ylpiperidin-4-yl)methanol;hydrochloride

(1-phthalazin-1-ylpiperidin-4-yl)methanol;hydrochloride (PubChem CID 140971986) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is (1-phthalazin-1-ylpiperidin-4-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(1-phthalazin-1-ylpiperidin-4-yl)methanol;hydrochloride
PubChem CID140971986
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name(1-phthalazin-1-ylpiperidin-4-yl)methanol;hydrochloride
SMILESCl.OCC1CCN(c2nncc3ccccc23)CC1
InChIInChI=1S/C14H17N3O.ClH/c18-10-11-5-7-17(8-6-11)14-13-4-2-1-3-12(13)9-15-16-14;/h1-4,9,11,18H,5-8,10H2;1H
InChIKeyASYXKIDEILSMAH-UHFFFAOYSA-N
XLogP2.26
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-phthalazin-1-ylpiperidin-4-yl)methanol;hydrochloride?
The IUPAC name of (1-phthalazin-1-ylpiperidin-4-yl)methanol;hydrochloride (CID 140971986) is (1-phthalazin-1-ylpiperidin-4-yl)methanol;hydrochloride.
What is the SMILES notation for (1-phthalazin-1-ylpiperidin-4-yl)methanol;hydrochloride?
The canonical SMILES for (1-phthalazin-1-ylpiperidin-4-yl)methanol;hydrochloride is Cl.OCC1CCN(c2nncc3ccccc23)CC1.
What is the InChIKey of (1-phthalazin-1-ylpiperidin-4-yl)methanol;hydrochloride?
The InChIKey is ASYXKIDEILSMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O.ClH/c18-10-11-5-7-17(8-6-11)14-13-4-2-1-3-12(13)9-15-16-14;/h1-4,9,11,18H,5-8,10H2;1H.
What are the key properties of (1-phthalazin-1-ylpiperidin-4-yl)methanol;hydrochloride?
(1-phthalazin-1-ylpiperidin-4-yl)methanol;hydrochloride has a molecular weight of 279.77 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phthalazin-1-ylpiperidin-4-yl)methanol;hydrochloride is sourced from PubChem (CID 140971986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).