N-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine

C19H21ClN4 — CID 21098468

IUPACN-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESClc1ccccc1CN1CCCC(Nc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C19H21ClN4/c20-18-6-2-1-4-14(18)12-24-9-3-5-17(13-24)22-16-7-8-19-15(10-16)11-21-23-19/h1-2,4,6-8,10-11,17,22H,3,5,9,12-13H2,(H,21,23)
InChIKeyBVZFHBJXEPPCEX-UHFFFAOYSA-N
MW340.86 g/mol
LogP4.29
Rot. Bonds4

About N-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine

N-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (PubChem CID 21098468) has the molecular formula C19H21ClN4 and a molecular weight of 340.86 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
PubChem CID21098468
Molecular FormulaC19H21ClN4
Molecular Weight340.86 g/mol
Exact Mass340.15
IUPAC NameN-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
SMILESClc1ccccc1CN1CCCC(Nc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C19H21ClN4/c20-18-6-2-1-4-14(18)12-24-9-3-5-17(13-24)22-16-7-8-19-15(10-16)11-21-23-19/h1-2,4,6-8,10-11,17,22H,3,5,9,12-13H2,(H,21,23)
InChIKeyBVZFHBJXEPPCEX-UHFFFAOYSA-N
XLogP4.29
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Rho-Kinase-IN-1
CID 25008330
N-(2-(4-Phenylpiperazin-1-yl)ethyl)-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
CID 24866288
5-(2-phenethylpiperazin-1-yl)-1H-indazole
CID 49798218
N-(1-benzylpiperidin-4-yl)-1H-indazol-5-amine
CID 9836178
N-(1-benzylpiperidin-3-yl)-1H-indazol-5-amine
CID 9857714
N-(1-(4-fluorobenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 9858433
N-(1H-5-Indazolyl)-N-(4-piperidyl)amine
CID 9899273
N-(1-benzylpyrrolidin-3-yl)-1H-indazol-5-amine
CID 9900683
N-(1-(3,4-difluorobenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 9967878
1-(4-(1H-indazol-5-yl)piperazin-1-yl)-2-amino-2-(4-chlorophenyl)ethanone
CID 16662100
1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-amino-2-(3-chlorophenyl)ethanone
CID 16662116
1-(2,4-dichlorobenzyl)-3-(1H-indazol-5-yl)urea
CID 17838131

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine (CID 21098468) is N-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is Clc1ccccc1CN1CCCC(Nc2ccc3[nH]ncc3c2)C1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
The InChIKey is BVZFHBJXEPPCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4/c20-18-6-2-1-4-14(18)12-24-9-3-5-17(13-24)22-16-7-8-19-15(10-16)11-21-23-19/h1-2,4,6-8,10-11,17,22H,3,5,9,12-13H2,(H,21,23).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine?
N-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine has a molecular weight of 340.86 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 21098468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).