N-(1H-indazol-6-ylmethyl)-2-piperidin-1-ylethanamine

C15H22N4 — CID 112688761

IUPACN-(1H-indazol-6-ylmethyl)-2-piperidin-1-ylethanamine
SMILESc1cc2cn[nH]c2cc1CNCCN1CCCCC1
InChIInChI=1S/C15H22N4/c1-2-7-19(8-3-1)9-6-16-11-13-4-5-14-12-17-18-15(14)10-13/h4-5,10,12,16H,1-3,6-9,11H2,(H,17,18)
InChIKeyJTVLLARMQSSKNV-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.14
Rot. Bonds5

About N-(1H-indazol-6-ylmethyl)-2-piperidin-1-ylethanamine

N-(1H-indazol-6-ylmethyl)-2-piperidin-1-ylethanamine (PubChem CID 112688761) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(1H-indazol-6-ylmethyl)-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-(1H-indazol-6-ylmethyl)-2-piperidin-1-ylethanamine
PubChem CID112688761
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-(1H-indazol-6-ylmethyl)-2-piperidin-1-ylethanamine
SMILESc1cc2cn[nH]c2cc1CNCCN1CCCCC1
InChIInChI=1S/C15H22N4/c1-2-7-19(8-3-1)9-6-16-11-13-4-5-14-12-17-18-15(14)10-13/h4-5,10,12,16H,1-3,6-9,11H2,(H,17,18)
InChIKeyJTVLLARMQSSKNV-UHFFFAOYSA-N
XLogP2.14
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-benzylpiperazin-1-yl)-N-(1H-indazol-6-ylmethyl)butan-1-amine
CID 119110136
2-cyclopropyl-N-(1H-indazol-6-ylmethyl)ethanamine
CID 115656450
N-(1H-indazol-6-ylmethyl)butan-1-amine
CID 62919560
N-(1H-indazol-6-ylmethyl)-2-methylsulfinylethanamine
CID 115632496
N-[(3,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 5039009
N-[(4-chloro-3-methylphenyl)methyl]-2-piperidin-1-ylethanamine
CID 113362652
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylethanamine
CID 60684360
N-[3-(1H-indazol-6-ylmethylamino)propyl]methanesulfonamide
CID 119109884
3-pyrrolidin-1-yl-N-[[4-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899287
1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol
CID 115621594
(2R)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884297
(2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884153

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-ylmethyl)-2-piperidin-1-ylethanamine?
The IUPAC name of N-(1H-indazol-6-ylmethyl)-2-piperidin-1-ylethanamine (CID 112688761) is N-(1H-indazol-6-ylmethyl)-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-(1H-indazol-6-ylmethyl)-2-piperidin-1-ylethanamine?
The canonical SMILES for N-(1H-indazol-6-ylmethyl)-2-piperidin-1-ylethanamine is c1cc2cn[nH]c2cc1CNCCN1CCCCC1.
What is the InChIKey of N-(1H-indazol-6-ylmethyl)-2-piperidin-1-ylethanamine?
The InChIKey is JTVLLARMQSSKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-2-7-19(8-3-1)9-6-16-11-13-4-5-14-12-17-18-15(14)10-13/h4-5,10,12,16H,1-3,6-9,11H2,(H,17,18).
What are the key properties of N-(1H-indazol-6-ylmethyl)-2-piperidin-1-ylethanamine?
N-(1H-indazol-6-ylmethyl)-2-piperidin-1-ylethanamine has a molecular weight of 258.37 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-ylmethyl)-2-piperidin-1-ylethanamine is sourced from PubChem (CID 112688761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).