N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazol-6-amine

C15H18N4 — CID 43790640

IUPACN-(1-prop-2-ynylpiperidin-4-yl)-1H-indazol-6-amine
SMILESC#CCN1CCC(Nc2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C15H18N4/c1-2-7-19-8-5-13(6-9-19)17-14-4-3-12-11-16-18-15(12)10-14/h1,3-4,10-11,13,17H,5-9H2,(H,16,18)
InChIKeyFMCGLTSWCWSJQN-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.07
Rot. Bonds3

About N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazol-6-amine

N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazol-6-amine (PubChem CID 43790640) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazol-6-amine.

Molecular Properties

Compound NameN-(1-prop-2-ynylpiperidin-4-yl)-1H-indazol-6-amine
PubChem CID43790640
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-(1-prop-2-ynylpiperidin-4-yl)-1H-indazol-6-amine
SMILESC#CCN1CCC(Nc2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C15H18N4/c1-2-7-19-8-5-13(6-9-19)17-14-4-3-12-11-16-18-15(12)10-14/h1,3-4,10-11,13,17H,5-9H2,(H,16,18)
InChIKeyFMCGLTSWCWSJQN-UHFFFAOYSA-N
XLogP2.07
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethylazepan-4-yl)-1H-indazol-6-amine
CID 65073550
N-(3,4-dichlorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43760832
1-prop-2-ynyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine
CID 43790946
N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-5-amine
CID 14467953
N-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43755634
N-(3-methylcyclopentyl)-1H-indazol-6-amine
CID 64501097
N-(3-ethynylphenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43755521
N-[4-(trifluoromethyl)cyclohexyl]-1H-indazol-6-amine
CID 64753657
N-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]phenyl]acetamide
CID 43756950
N-(4-phenylcyclohexyl)-1H-indazol-6-amine
CID 2847039
6-[(1-prop-2-ynylpiperidin-4-yl)amino]-4H-1,4-benzoxazin-3-one
CID 43767742
N-(1-methylpyrrolidin-3-yl)-1H-indazol-5-amine
CID 62976152

Frequently Asked Questions

What is the IUPAC name of N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazol-6-amine?
The IUPAC name of N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazol-6-amine (CID 43790640) is N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazol-6-amine.
What is the SMILES notation for N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazol-6-amine?
The canonical SMILES for N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazol-6-amine is C#CCN1CCC(Nc2ccc3cn[nH]c3c2)CC1.
What is the InChIKey of N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazol-6-amine?
The InChIKey is FMCGLTSWCWSJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-7-19-8-5-13(6-9-19)17-14-4-3-12-11-16-18-15(12)10-14/h1,3-4,10-11,13,17H,5-9H2,(H,16,18).
What are the key properties of N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazol-6-amine?
N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazol-6-amine has a molecular weight of 254.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazol-6-amine is sourced from PubChem (CID 43790640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).