1-[[4-(4-chlorophenyl)cinnolin-6-yl]methyl]piperidin-4-amine

C20H21ClN4 — CID 122457687

IUPAC1-[[4-(4-chlorophenyl)cinnolin-6-yl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2ccc3nncc(-c4ccc(Cl)cc4)c3c2)CC1
InChIInChI=1S/C20H21ClN4/c21-16-4-2-15(3-5-16)19-12-23-24-20-6-1-14(11-18(19)20)13-25-9-7-17(22)8-10-25/h1-6,11-12,17H,7-10,13,22H2
InChIKeyCBRVKWYCZIESQM-UHFFFAOYSA-N
MW352.87 g/mol
LogP3.87
Rot. Bonds3

About 1-[[4-(4-chlorophenyl)cinnolin-6-yl]methyl]piperidin-4-amine

1-[[4-(4-chlorophenyl)cinnolin-6-yl]methyl]piperidin-4-amine (PubChem CID 122457687) has the molecular formula C20H21ClN4 and a molecular weight of 352.87 g/mol. Its IUPAC name is 1-[[4-(4-chlorophenyl)cinnolin-6-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[4-(4-chlorophenyl)cinnolin-6-yl]methyl]piperidin-4-amine
PubChem CID122457687
Molecular FormulaC20H21ClN4
Molecular Weight352.87 g/mol
Exact Mass352.15
IUPAC Name1-[[4-(4-chlorophenyl)cinnolin-6-yl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2ccc3nncc(-c4ccc(Cl)cc4)c3c2)CC1
InChIInChI=1S/C20H21ClN4/c21-16-4-2-15(3-5-16)19-12-23-24-20-6-1-14(11-18(19)20)13-25-9-7-17(22)8-10-25/h1-6,11-12,17H,7-10,13,22H2
InChIKeyCBRVKWYCZIESQM-UHFFFAOYSA-N
XLogP3.87
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[4-(4-chlorophenyl)cinnolin-6-yl]methyl]piperidin-4-amine with MolForge

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Related Compounds

[4-(1-benzofuran-2-yl)cinnolin-6-yl]methanol;1-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]piperidin-4-amine;4-(1-benzofuran-2-yl)-6-[(4-methylpiperidin-1-yl)methyl]cinnoline;4-methylpiperidine
CID 162128496
tert-butyl N-[1-[2-chloro-5-[6-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]cinnolin-4-yl]phenyl]piperidin-4-yl]carbamate
CID 145136128
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838
1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-amine
CID 43556713
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614
1-[[4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methyl]piperidin-4-amine
CID 141396568
1-[(5-chloro-2-pyridinyl)methyl]piperidin-4-amine
CID 175660028
1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 11382802
1-[[4-(2-amino-5-chlorophenyl)phenyl]methyl]piperidin-4-ol
CID 69336944
6-[(4-aminopiperidin-1-yl)methyl]-4-(furan-2-yl)isoquinolin-1-amine
CID 122495106
N-[3-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]phenyl]acetamide
CID 122495432
1-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]propan-2-one
CID 174877630

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-chlorophenyl)cinnolin-6-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[4-(4-chlorophenyl)cinnolin-6-yl]methyl]piperidin-4-amine (CID 122457687) is 1-[[4-(4-chlorophenyl)cinnolin-6-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[4-(4-chlorophenyl)cinnolin-6-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[4-(4-chlorophenyl)cinnolin-6-yl]methyl]piperidin-4-amine is NC1CCN(Cc2ccc3nncc(-c4ccc(Cl)cc4)c3c2)CC1.
What is the InChIKey of 1-[[4-(4-chlorophenyl)cinnolin-6-yl]methyl]piperidin-4-amine?
The InChIKey is CBRVKWYCZIESQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4/c21-16-4-2-15(3-5-16)19-12-23-24-20-6-1-14(11-18(19)20)13-25-9-7-17(22)8-10-25/h1-6,11-12,17H,7-10,13,22H2.
What are the key properties of 1-[[4-(4-chlorophenyl)cinnolin-6-yl]methyl]piperidin-4-amine?
1-[[4-(4-chlorophenyl)cinnolin-6-yl]methyl]piperidin-4-amine has a molecular weight of 352.87 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-chlorophenyl)cinnolin-6-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 122457687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).