N-(cyclopropylmethyl)-1-quinolin-2-ylpiperidin-4-amine

C18H23N3 — CID 115307554

IUPACN-(cyclopropylmethyl)-1-quinolin-2-ylpiperidin-4-amine
SMILESc1ccc2nc(N3CCC(NCC4CC4)CC3)ccc2c1
InChIInChI=1S/C18H23N3/c1-2-4-17-15(3-1)7-8-18(20-17)21-11-9-16(10-12-21)19-13-14-5-6-14/h1-4,7-8,14,16,19H,5-6,9-13H2
InChIKeyVPHRVJRWDYQNBI-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.20
Rot. Bonds4

About N-(cyclopropylmethyl)-1-quinolin-2-ylpiperidin-4-amine

N-(cyclopropylmethyl)-1-quinolin-2-ylpiperidin-4-amine (PubChem CID 115307554) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-quinolin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-quinolin-2-ylpiperidin-4-amine
PubChem CID115307554
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-(cyclopropylmethyl)-1-quinolin-2-ylpiperidin-4-amine
SMILESc1ccc2nc(N3CCC(NCC4CC4)CC3)ccc2c1
InChIInChI=1S/C18H23N3/c1-2-4-17-15(3-1)7-8-18(20-17)21-11-9-16(10-12-21)19-13-14-5-6-14/h1-4,7-8,14,16,19H,5-6,9-13H2
InChIKeyVPHRVJRWDYQNBI-UHFFFAOYSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-1-pyrido[2,3-b]pyrazin-6-ylpiperidin-4-amine
CID 115307509
1-(1,3-benzoxazol-2-yl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 115307563
N-(cyclopropylmethyl)-1-quinazolin-4-ylpiperidin-4-amine
CID 115307565
2-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]quinoline
CID 133349552
N-(1-quinolin-2-ylpiperidin-4-yl)cyclohexanecarboxamide
CID 133276967
2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]quinoline
CID 133396296
1-[2-(1-quinolin-2-ylpiperidin-4-yl)ethyl]azetidin-3-ol
CID 154460221
2-(4-pyrrolidin-1-ylazepan-1-yl)quinoline
CID 71192818
2-[4-(2-fluorophenyl)piperidin-1-yl]quinoline
CID 174513092
N-(cyclopropylmethyl)-1-(5,6-dimethylpyrazin-2-yl)piperidin-4-amine
CID 114476593
N-(cyclopropylmethyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166652
5,6-dimethyl-N-[(1-quinolin-2-ylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 131927227

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-quinolin-2-ylpiperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-quinolin-2-ylpiperidin-4-amine (CID 115307554) is N-(cyclopropylmethyl)-1-quinolin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-quinolin-2-ylpiperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-quinolin-2-ylpiperidin-4-amine is c1ccc2nc(N3CCC(NCC4CC4)CC3)ccc2c1.
What is the InChIKey of N-(cyclopropylmethyl)-1-quinolin-2-ylpiperidin-4-amine?
The InChIKey is VPHRVJRWDYQNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-4-17-15(3-1)7-8-18(20-17)21-11-9-16(10-12-21)19-13-14-5-6-14/h1-4,7-8,14,16,19H,5-6,9-13H2.
What are the key properties of N-(cyclopropylmethyl)-1-quinolin-2-ylpiperidin-4-amine?
N-(cyclopropylmethyl)-1-quinolin-2-ylpiperidin-4-amine has a molecular weight of 281.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-quinolin-2-ylpiperidin-4-amine is sourced from PubChem (CID 115307554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).