1-prop-2-ynyl-N-(quinolin-8-ylmethyl)piperidin-4-amine

C18H21N3 — CID 81333275

IUPAC1-prop-2-ynyl-N-(quinolin-8-ylmethyl)piperidin-4-amine
SMILESC#CCN1CCC(NCc2cccc3cccnc23)CC1
InChIInChI=1S/C18H21N3/c1-2-11-21-12-8-17(9-13-21)20-14-16-6-3-5-15-7-4-10-19-18(15)16/h1,3-7,10,17,20H,8-9,11-14H2
InChIKeyBEKSHFOYZPHWME-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.42
Rot. Bonds4

About 1-prop-2-ynyl-N-(quinolin-8-ylmethyl)piperidin-4-amine

1-prop-2-ynyl-N-(quinolin-8-ylmethyl)piperidin-4-amine (PubChem CID 81333275) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-prop-2-ynyl-N-(quinolin-8-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-prop-2-ynyl-N-(quinolin-8-ylmethyl)piperidin-4-amine
PubChem CID81333275
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name1-prop-2-ynyl-N-(quinolin-8-ylmethyl)piperidin-4-amine
SMILESC#CCN1CCC(NCc2cccc3cccnc23)CC1
InChIInChI=1S/C18H21N3/c1-2-11-21-12-8-17(9-13-21)20-14-16-6-3-5-15-7-4-10-19-18(15)16/h1,3-7,10,17,20H,8-9,11-14H2
InChIKeyBEKSHFOYZPHWME-UHFFFAOYSA-N
XLogP2.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(quinolin-8-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728504
4-methyl-N-(quinolin-8-ylmethyl)cycloheptan-1-amine
CID 81426138
1-ethyl-N-(2-quinolin-8-ylethyl)piperidin-4-amine
CID 81297387
3-methyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 79032434
3-methylsulfanyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 103701386
N-propyl-1-(quinolin-8-ylmethyl)pyrrolidin-3-amine
CID 81427742
3-(quinolin-8-ylmethylamino)cyclohexan-1-ol
CID 43751062
3,3-dimethyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 81428857
N-[(2,5-difluorophenyl)methyl]-1-prop-2-ynylpiperidin-4-amine
CID 55236856
tert-butyl 3-(quinolin-8-ylmethylamino)azetidine-1-carboxylate
CID 103740770
2-(4-methylpiperidin-1-yl)-N-(quinolin-8-ylmethyl)ethanamine
CID 61239909
2-methyl-N-(quinolin-8-ylmethyl)oxan-4-amine
CID 81428245

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynyl-N-(quinolin-8-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-prop-2-ynyl-N-(quinolin-8-ylmethyl)piperidin-4-amine (CID 81333275) is 1-prop-2-ynyl-N-(quinolin-8-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-prop-2-ynyl-N-(quinolin-8-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-prop-2-ynyl-N-(quinolin-8-ylmethyl)piperidin-4-amine is C#CCN1CCC(NCc2cccc3cccnc23)CC1.
What is the InChIKey of 1-prop-2-ynyl-N-(quinolin-8-ylmethyl)piperidin-4-amine?
The InChIKey is BEKSHFOYZPHWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-2-11-21-12-8-17(9-13-21)20-14-16-6-3-5-15-7-4-10-19-18(15)16/h1,3-7,10,17,20H,8-9,11-14H2.
What are the key properties of 1-prop-2-ynyl-N-(quinolin-8-ylmethyl)piperidin-4-amine?
1-prop-2-ynyl-N-(quinolin-8-ylmethyl)piperidin-4-amine has a molecular weight of 279.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynyl-N-(quinolin-8-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 81333275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).