1-[(3,4-dichlorophenyl)methyl]-N-[(1-methylindol-2-yl)methyl]piperidin-4-amine

C22H25Cl2N3 — CID 10135726

IUPAC1-[(3,4-dichlorophenyl)methyl]-N-[(1-methylindol-2-yl)methyl]piperidin-4-amine
SMILESCn1c(CNC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc2ccccc21
InChIInChI=1S/C22H25Cl2N3/c1-26-19(13-17-4-2-3-5-22(17)26)14-25-18-8-10-27(11-9-18)15-16-6-7-20(23)21(24)12-16/h2-7,12-13,18,25H,8-11,14-15H2,1H3
InChIKeyAZYVVSPNTQTTHU-UHFFFAOYSA-N
MW402.37 g/mol
LogP5.24
Rot. Bonds5

About 1-[(3,4-dichlorophenyl)methyl]-N-[(1-methylindol-2-yl)methyl]piperidin-4-amine

1-[(3,4-dichlorophenyl)methyl]-N-[(1-methylindol-2-yl)methyl]piperidin-4-amine (PubChem CID 10135726) has the molecular formula C22H25Cl2N3 and a molecular weight of 402.37 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-N-[(1-methylindol-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-N-[(1-methylindol-2-yl)methyl]piperidin-4-amine
PubChem CID10135726
Molecular FormulaC22H25Cl2N3
Molecular Weight402.37 g/mol
Exact Mass401.14
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-N-[(1-methylindol-2-yl)methyl]piperidin-4-amine
SMILESCn1c(CNC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc2ccccc21
InChIInChI=1S/C22H25Cl2N3/c1-26-19(13-17-4-2-3-5-22(17)26)14-25-18-8-10-27(11-9-18)15-16-6-7-20(23)21(24)12-16/h2-7,12-13,18,25H,8-11,14-15H2,1H3
InChIKeyAZYVVSPNTQTTHU-UHFFFAOYSA-N
XLogP5.24
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.37
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3,4-dichlorophenyl)methyl]-N-[(1-methylindol-2-yl)methyl]piperidin-4-amine with MolForge

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Related Compounds

N-[(1-methylindol-2-yl)methyl]cyclobutanamine
CID 117173088
4-[[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]methyl]benzoic acid
CID 122031321
N-[(5-chloro-1-methylindol-2-yl)methyl]cyclobutanamine
CID 117176590
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
CID 22197662
2-chloro-5-[[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methyl]phenol
CID 71020441
N-methyl-1-(naphthalen-2-ylmethyl)piperidin-4-amine;hydrochloride
CID 119923658
1-[(4-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
CID 119109850
N-[(4-chloro-1-methylindol-2-yl)methyl]cyclobutanamine
CID 117173092
N-[(4-chloro-1-methylindol-2-yl)methyl]cyclopentanamine
CID 117173103
5-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]ethyl]-6-methylpyrimidine-2,4-diamine
CID 22396225
CID 89056151
CID 89056151
N-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methyl]cycloheptanamine
CID 124895925

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-[(1-methylindol-2-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-N-[(1-methylindol-2-yl)methyl]piperidin-4-amine (CID 10135726) is 1-[(3,4-dichlorophenyl)methyl]-N-[(1-methylindol-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-N-[(1-methylindol-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-N-[(1-methylindol-2-yl)methyl]piperidin-4-amine is Cn1c(CNC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc2ccccc21.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-N-[(1-methylindol-2-yl)methyl]piperidin-4-amine?
The InChIKey is AZYVVSPNTQTTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3/c1-26-19(13-17-4-2-3-5-22(17)26)14-25-18-8-10-27(11-9-18)15-16-6-7-20(23)21(24)12-16/h2-7,12-13,18,25H,8-11,14-15H2,1H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-N-[(1-methylindol-2-yl)methyl]piperidin-4-amine?
1-[(3,4-dichlorophenyl)methyl]-N-[(1-methylindol-2-yl)methyl]piperidin-4-amine has a molecular weight of 402.37 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-N-[(1-methylindol-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 10135726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).