N-[3-(4-chloropiperidin-1-yl)propyl]-1H-indazol-3-amine

C15H21ClN4 — CID 3028861

IUPACN-[3-(4-chloropiperidin-1-yl)propyl]-1H-indazol-3-amine
SMILESClC1CCN(CCCNc2n[nH]c3ccccc23)CC1
InChIInChI=1S/C15H21ClN4/c16-12-6-10-20(11-7-12)9-3-8-17-15-13-4-1-2-5-14(13)18-19-15/h1-2,4-5,12H,3,6-11H2,(H2,17,18,19)
InChIKeyAJIMRBGUCLACKE-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.07
Rot. Bonds5

About N-[3-(4-chloropiperidin-1-yl)propyl]-1H-indazol-3-amine

N-[3-(4-chloropiperidin-1-yl)propyl]-1H-indazol-3-amine (PubChem CID 3028861) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is N-[3-(4-chloropiperidin-1-yl)propyl]-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[3-(4-chloropiperidin-1-yl)propyl]-1H-indazol-3-amine
PubChem CID3028861
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC NameN-[3-(4-chloropiperidin-1-yl)propyl]-1H-indazol-3-amine
SMILESClC1CCN(CCCNc2n[nH]c3ccccc23)CC1
InChIInChI=1S/C15H21ClN4/c16-12-6-10-20(11-7-12)9-3-8-17-15-13-4-1-2-5-14(13)18-19-15/h1-2,4-5,12H,3,6-11H2,(H2,17,18,19)
InChIKeyAJIMRBGUCLACKE-UHFFFAOYSA-N
XLogP3.07
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloropiperidin-1-yl)propyl]-1H-indazol-3-amine?
The IUPAC name of N-[3-(4-chloropiperidin-1-yl)propyl]-1H-indazol-3-amine (CID 3028861) is N-[3-(4-chloropiperidin-1-yl)propyl]-1H-indazol-3-amine.
What is the SMILES notation for N-[3-(4-chloropiperidin-1-yl)propyl]-1H-indazol-3-amine?
The canonical SMILES for N-[3-(4-chloropiperidin-1-yl)propyl]-1H-indazol-3-amine is ClC1CCN(CCCNc2n[nH]c3ccccc23)CC1.
What is the InChIKey of N-[3-(4-chloropiperidin-1-yl)propyl]-1H-indazol-3-amine?
The InChIKey is AJIMRBGUCLACKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c16-12-6-10-20(11-7-12)9-3-8-17-15-13-4-1-2-5-14(13)18-19-15/h1-2,4-5,12H,3,6-11H2,(H2,17,18,19).
What are the key properties of N-[3-(4-chloropiperidin-1-yl)propyl]-1H-indazol-3-amine?
N-[3-(4-chloropiperidin-1-yl)propyl]-1H-indazol-3-amine has a molecular weight of 292.81 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloropiperidin-1-yl)propyl]-1H-indazol-3-amine is sourced from PubChem (CID 3028861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).