N-[(1-cinnolin-4-ylpiperidin-4-yl)methyl]propan-1-amine

C17H24N4 — CID 63586771

IUPACN-[(1-cinnolin-4-ylpiperidin-4-yl)methyl]propan-1-amine
SMILESCCCNCC1CCN(c2cnnc3ccccc23)CC1
InChIInChI=1S/C17H24N4/c1-2-9-18-12-14-7-10-21(11-8-14)17-13-19-20-16-6-4-3-5-15(16)17/h3-6,13-14,18H,2,7-12H2,1H3
InChIKeyYOBOJTNZNPQFTN-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.85
Rot. Bonds5

About N-[(1-cinnolin-4-ylpiperidin-4-yl)methyl]propan-1-amine

N-[(1-cinnolin-4-ylpiperidin-4-yl)methyl]propan-1-amine (PubChem CID 63586771) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-[(1-cinnolin-4-ylpiperidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-cinnolin-4-ylpiperidin-4-yl)methyl]propan-1-amine
PubChem CID63586771
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-[(1-cinnolin-4-ylpiperidin-4-yl)methyl]propan-1-amine
SMILESCCCNCC1CCN(c2cnnc3ccccc23)CC1
InChIInChI=1S/C17H24N4/c1-2-9-18-12-14-7-10-21(11-8-14)17-13-19-20-16-6-4-3-5-15(16)17/h3-6,13-14,18H,2,7-12H2,1H3
InChIKeyYOBOJTNZNPQFTN-UHFFFAOYSA-N
XLogP2.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cinnolin-4-yl-4-methylpiperidin-3-ol
CID 102959211
N-[(1-quinolin-3-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62783429
N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
CID 104779258
2-(1-cinnolin-4-ylazetidin-3-yl)acetic acid
CID 64618649
1-cinnolin-4-yl-3-propylpyrrolidine-3-carboxylic acid
CID 63586009
N-[[1-(2,6-diethylphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512063
4-(3-bromopiperidin-1-yl)cinnoline
CID 80672341
2-(1-cinnolin-4-yl-3-methylazetidin-3-yl)oxyacetic acid
CID 102657862
N-[(1-benzylpyrrolidin-3-yl)methyl]propan-1-amine
CID 14280885
N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]propan-1-amine
CID 106535576
N-[[1-(4-ethoxyphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62514030
N-[(1-quinazolin-2-ylpiperidin-4-yl)methyl]ethanamine
CID 114789523

Frequently Asked Questions

What is the IUPAC name of N-[(1-cinnolin-4-ylpiperidin-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-cinnolin-4-ylpiperidin-4-yl)methyl]propan-1-amine (CID 63586771) is N-[(1-cinnolin-4-ylpiperidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-cinnolin-4-ylpiperidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-cinnolin-4-ylpiperidin-4-yl)methyl]propan-1-amine is CCCNCC1CCN(c2cnnc3ccccc23)CC1.
What is the InChIKey of N-[(1-cinnolin-4-ylpiperidin-4-yl)methyl]propan-1-amine?
The InChIKey is YOBOJTNZNPQFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-2-9-18-12-14-7-10-21(11-8-14)17-13-19-20-16-6-4-3-5-15(16)17/h3-6,13-14,18H,2,7-12H2,1H3.
What are the key properties of N-[(1-cinnolin-4-ylpiperidin-4-yl)methyl]propan-1-amine?
N-[(1-cinnolin-4-ylpiperidin-4-yl)methyl]propan-1-amine has a molecular weight of 284.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cinnolin-4-ylpiperidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 63586771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).