10-chloro-N-[(3-chlorophenyl)methyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine;dihydrochloride

C20H23Cl4N5 — CID 171844218

IUPAC10-chloro-N-[(3-chlorophenyl)methyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine;dihydrochloride
SMILESCl.Cl.Clc1cccc(CNc2c3c(nc4c(Cl)cnn24)C2(CCNCC2)CC3)c1
InChIInChI=1S/C20H21Cl2N5.2ClH/c21-14-3-1-2-13(10-14)11-24-18-15-4-5-20(6-8-23-9-7-20)17(15)26-19-16(22)12-25-27(18)19;;/h1-3,10,12,23-24H,4-9,11H2;2*1H
InChIKeyBSZXCVLXHUJHLW-UHFFFAOYSA-N
MW475.25 g/mol
LogP5.06
Rot. Bonds3

About 10-chloro-N-[(3-chlorophenyl)methyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine;dihydrochloride

10-chloro-N-[(3-chlorophenyl)methyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine;dihydrochloride (PubChem CID 171844218) has the molecular formula C20H23Cl4N5 and a molecular weight of 475.25 g/mol. Its IUPAC name is 10-chloro-N-[(3-chlorophenyl)methyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine;dihydrochloride.

Molecular Properties

Compound Name10-chloro-N-[(3-chlorophenyl)methyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine;dihydrochloride
PubChem CID171844218
Molecular FormulaC20H23Cl4N5
Molecular Weight475.25 g/mol
Exact Mass473.07
IUPAC Name10-chloro-N-[(3-chlorophenyl)methyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine;dihydrochloride
SMILESCl.Cl.Clc1cccc(CNc2c3c(nc4c(Cl)cnn24)C2(CCNCC2)CC3)c1
InChIInChI=1S/C20H21Cl2N5.2ClH/c21-14-3-1-2-13(10-14)11-24-18-15-4-5-20(6-8-23-9-7-20)17(15)26-19-16(22)12-25-27(18)19;;/h1-3,10,12,23-24H,4-9,11H2;2*1H
InChIKeyBSZXCVLXHUJHLW-UHFFFAOYSA-N
XLogP5.06
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.25
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 10-chloro-N-[(3-chlorophenyl)methyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine;dihydrochloride with MolForge

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Related Compounds

10-chloro-N-[(6-chloro-3-pyridinyl)methyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine
CID 171844319
4-[[(10-chlorospiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-yl)amino]methyl]benzamide
CID 171844255
7-N-[(3-chlorophenyl)methyl]-3-cyclopropyl-5-N-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;hydrochloride
CID 155104186
5-chloro-7-[(3-chlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 155104401
7-[(3-chlorophenyl)methylamino]-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 155104195
5-N-(4-aminocyclohexyl)-7-N-[(3-chlorophenyl)methyl]-3-iodo-6-methylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 58694626
N-[(3-chlorophenyl)methyl]-4-piperazin-1-ylaniline
CID 162658647
3-[2-[(3-chlorophenyl)methylamino]pyrimidin-4-yl]-N-(2-piperazin-1-ylethyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine;hydrochloride
CID 57414383
N-[(3-chlorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127551
N-[(3-chlorophenyl)methyl]-1-piperazin-1-ylpropan-2-amine
CID 91802765
2-(3-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074479
N-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine
CID 115899747

Frequently Asked Questions

What is the IUPAC name of 10-chloro-N-[(3-chlorophenyl)methyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine;dihydrochloride?
The IUPAC name of 10-chloro-N-[(3-chlorophenyl)methyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine;dihydrochloride (CID 171844218) is 10-chloro-N-[(3-chlorophenyl)methyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine;dihydrochloride.
What is the SMILES notation for 10-chloro-N-[(3-chlorophenyl)methyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine;dihydrochloride?
The canonical SMILES for 10-chloro-N-[(3-chlorophenyl)methyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine;dihydrochloride is Cl.Cl.Clc1cccc(CNc2c3c(nc4c(Cl)cnn24)C2(CCNCC2)CC3)c1.
What is the InChIKey of 10-chloro-N-[(3-chlorophenyl)methyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine;dihydrochloride?
The InChIKey is BSZXCVLXHUJHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N5.2ClH/c21-14-3-1-2-13(10-14)11-24-18-15-4-5-20(6-8-23-9-7-20)17(15)26-19-16(22)12-25-27(18)19;;/h1-3,10,12,23-24H,4-9,11H2;2*1H.
What are the key properties of 10-chloro-N-[(3-chlorophenyl)methyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine;dihydrochloride?
10-chloro-N-[(3-chlorophenyl)methyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine;dihydrochloride has a molecular weight of 475.25 g/mol, XLogP of 5.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-N-[(3-chlorophenyl)methyl]spiro[1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,4'-piperidine]-2-amine;dihydrochloride is sourced from PubChem (CID 171844218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).