4-(piperidin-3-ylmethyl)quinazoline

C14H17N3 — CID 105484818

IUPAC4-(piperidin-3-ylmethyl)quinazoline
SMILESc1ccc2c(CC3CCCNC3)ncnc2c1
InChIInChI=1S/C14H17N3/c1-2-6-13-12(5-1)14(17-10-16-13)8-11-4-3-7-15-9-11/h1-2,5-6,10-11,15H,3-4,7-9H2
InChIKeyFWSKZQSINRGXQT-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.17
Rot. Bonds2

About 4-(piperidin-3-ylmethyl)quinazoline

4-(piperidin-3-ylmethyl)quinazoline (PubChem CID 105484818) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(piperidin-3-ylmethyl)quinazoline.

Molecular Properties

Compound Name4-(piperidin-3-ylmethyl)quinazoline
PubChem CID105484818
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-(piperidin-3-ylmethyl)quinazoline
SMILESc1ccc2c(CC3CCCNC3)ncnc2c1
InChIInChI=1S/C14H17N3/c1-2-6-13-12(5-1)14(17-10-16-13)8-11-4-3-7-15-9-11/h1-2,5-6,10-11,15H,3-4,7-9H2
InChIKeyFWSKZQSINRGXQT-UHFFFAOYSA-N
XLogP2.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(piperidin-3-ylmethyl)quinoline
CID 73439136
N-cyclopropyl-N-(piperidin-3-ylmethyl)quinazolin-4-amine
CID 106643652
N-methyl-N-piperidin-3-ylquinazolin-4-amine
CID 55249323
3-(azepan-3-ylmethyl)-1-methylindazole
CID 104680728
1-[6-(piperidin-3-ylmethyl)pyrimidin-4-yl]benzimidazole
CID 110097000
7-methyl-3-(piperidin-3-ylmethyl)-1,2-benzoxazole
CID 84693586
N-(piperidin-3-ylmethyl)quinolin-5-amine
CID 80552964
3-piperidin-3-yl-1-quinolin-4-ylpropan-1-one;hydrochloride
CID 24843603
N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine
CID 84795677
3-[(2,3-dichlorophenyl)methyl]piperidine
CID 91178565
3-[(3-methyl-2-pyridinyl)methyl]azepane
CID 104680698
1-(piperidin-3-ylmethyl)naphthalen-2-ol
CID 84801092

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-3-ylmethyl)quinazoline?
The IUPAC name of 4-(piperidin-3-ylmethyl)quinazoline (CID 105484818) is 4-(piperidin-3-ylmethyl)quinazoline.
What is the SMILES notation for 4-(piperidin-3-ylmethyl)quinazoline?
The canonical SMILES for 4-(piperidin-3-ylmethyl)quinazoline is c1ccc2c(CC3CCCNC3)ncnc2c1.
What is the InChIKey of 4-(piperidin-3-ylmethyl)quinazoline?
The InChIKey is FWSKZQSINRGXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-6-13-12(5-1)14(17-10-16-13)8-11-4-3-7-15-9-11/h1-2,5-6,10-11,15H,3-4,7-9H2.
What are the key properties of 4-(piperidin-3-ylmethyl)quinazoline?
4-(piperidin-3-ylmethyl)quinazoline has a molecular weight of 227.31 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-3-ylmethyl)quinazoline is sourced from PubChem (CID 105484818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).