N-(cyclopropylmethyl)-1-quinazolin-4-ylpiperidin-4-amine

C17H22N4 — CID 115307565

IUPACN-(cyclopropylmethyl)-1-quinazolin-4-ylpiperidin-4-amine
SMILESc1ccc2c(N3CCC(NCC4CC4)CC3)ncnc2c1
InChIInChI=1S/C17H22N4/c1-2-4-16-15(3-1)17(20-12-19-16)21-9-7-14(8-10-21)18-11-13-5-6-13/h1-4,12-14,18H,5-11H2
InChIKeyLEBZLVWRHNYHNE-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.60
Rot. Bonds4

About N-(cyclopropylmethyl)-1-quinazolin-4-ylpiperidin-4-amine

N-(cyclopropylmethyl)-1-quinazolin-4-ylpiperidin-4-amine (PubChem CID 115307565) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-quinazolin-4-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-quinazolin-4-ylpiperidin-4-amine
PubChem CID115307565
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-(cyclopropylmethyl)-1-quinazolin-4-ylpiperidin-4-amine
SMILESc1ccc2c(N3CCC(NCC4CC4)CC3)ncnc2c1
InChIInChI=1S/C17H22N4/c1-2-4-16-15(3-1)17(20-12-19-16)21-9-7-14(8-10-21)18-11-13-5-6-13/h1-4,12-14,18H,5-11H2
InChIKeyLEBZLVWRHNYHNE-UHFFFAOYSA-N
XLogP2.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-quinazolin-4-ylpyrrolidin-2-yl)methyl]cyclopropanamine
CID 62591283
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843
6-methoxy-N-(1-quinazolin-4-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888251
1-(3-chloro-2-pyridinyl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 113283451
4-(azepan-1-yl)quinazoline
CID 5207391
N-[(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanamine
CID 62593365
N-hexan-2-yl-1-quinazolin-4-ylpyrrolidin-3-amine
CID 141430975
4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline
CID 106838537
N-(cyclopropylmethyl)-1-quinolin-2-ylpiperidin-4-amine
CID 115307554
N-(1-quinazolin-4-ylpiperidin-4-yl)morpholine-4-carboxamide
CID 175650217
4-[3-(2-chloroethyl)pyrrolidin-1-yl]quinazoline
CID 114800924
1-(1,3-benzoxazol-2-yl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 115307563

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-quinazolin-4-ylpiperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-quinazolin-4-ylpiperidin-4-amine (CID 115307565) is N-(cyclopropylmethyl)-1-quinazolin-4-ylpiperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-quinazolin-4-ylpiperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-quinazolin-4-ylpiperidin-4-amine is c1ccc2c(N3CCC(NCC4CC4)CC3)ncnc2c1.
What is the InChIKey of N-(cyclopropylmethyl)-1-quinazolin-4-ylpiperidin-4-amine?
The InChIKey is LEBZLVWRHNYHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-4-16-15(3-1)17(20-12-19-16)21-9-7-14(8-10-21)18-11-13-5-6-13/h1-4,12-14,18H,5-11H2.
What are the key properties of N-(cyclopropylmethyl)-1-quinazolin-4-ylpiperidin-4-amine?
N-(cyclopropylmethyl)-1-quinazolin-4-ylpiperidin-4-amine has a molecular weight of 282.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-quinazolin-4-ylpiperidin-4-amine is sourced from PubChem (CID 115307565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).