1'-tert-butyl-1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]

C18H29N3 — CID 67151281

IUPAC1'-tert-butyl-1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]
SMILESCC(C)n1ncc2c1C=CC1(CCN(C(C)(C)C)CC1)C2
InChIInChI=1S/C18H29N3/c1-14(2)21-16-6-7-18(12-15(16)13-19-21)8-10-20(11-9-18)17(3,4)5/h6-7,13-14H,8-12H2,1-5H3
InChIKeyRAPWBTULOJHODK-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.91
Rot. Bonds1

About 1'-tert-butyl-1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]

1'-tert-butyl-1-propan-2-ylspiro[4H-indazole-5,4'-piperidine] (PubChem CID 67151281) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1'-tert-butyl-1-propan-2-ylspiro[4H-indazole-5,4'-piperidine].

Molecular Properties

Compound Name1'-tert-butyl-1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]
PubChem CID67151281
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1'-tert-butyl-1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]
SMILESCC(C)n1ncc2c1C=CC1(CCN(C(C)(C)C)CC1)C2
InChIInChI=1S/C18H29N3/c1-14(2)21-16-6-7-18(12-15(16)13-19-21)8-10-20(11-9-18)17(3,4)5/h6-7,13-14H,8-12H2,1-5H3
InChIKeyRAPWBTULOJHODK-UHFFFAOYSA-N
XLogP3.91
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 21219157
1-Benzyl-4-(5-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 9949442
1-Benzyl-4-(5-phenyl-pyrazol-1-yl)-piperidine
CID 21219154
3-(4-ethyl-5-phenylpyrazol-1-yl)-N,N-dimethylpropan-1-amine
CID 44321403
N,N-diethyl-3-(4-ethyl-5-phenylpyrazol-1-yl)propan-1-amine
CID 44321435
1-[(1,3-Dimethylpyrazol-4-yl)methyl]-4-[(1-phenylcyclopropyl)methyl]piperazine
CID 46963008
(2-{1-[(5-cyclopropyl-1-methyl-1H-pyrazol-4-yl)methyl]-2-piperidinyl}ethyl)dimethylamine
CID 70767053
(1-{1-[(5-cyclopropyl-1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}ethyl)dimethylamine
CID 70782560
1-(1,5-dimethyl-1H-pyrazol-4-yl)-N-({1-[2-(3-fluorophenyl)ethyl]-4-piperidinyl}methyl)-N-methylmethanamine
CID 42094253
9-[(2,3-Difluorophenyl)methyl]-2-[(1,5-dimethylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 45171522
3-[2-(2,6-difluorophenyl)ethyl]-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperidine
CID 56864672
1-tert-butyl-5-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 132468217

Frequently Asked Questions

What is the IUPAC name of 1'-tert-butyl-1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]?
The IUPAC name of 1'-tert-butyl-1-propan-2-ylspiro[4H-indazole-5,4'-piperidine] (CID 67151281) is 1'-tert-butyl-1-propan-2-ylspiro[4H-indazole-5,4'-piperidine].
What is the SMILES notation for 1'-tert-butyl-1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]?
The canonical SMILES for 1'-tert-butyl-1-propan-2-ylspiro[4H-indazole-5,4'-piperidine] is CC(C)n1ncc2c1C=CC1(CCN(C(C)(C)C)CC1)C2.
What is the InChIKey of 1'-tert-butyl-1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]?
The InChIKey is RAPWBTULOJHODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-14(2)21-16-6-7-18(12-15(16)13-19-21)8-10-20(11-9-18)17(3,4)5/h6-7,13-14H,8-12H2,1-5H3.
What are the key properties of 1'-tert-butyl-1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]?
1'-tert-butyl-1-propan-2-ylspiro[4H-indazole-5,4'-piperidine] has a molecular weight of 287.45 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-tert-butyl-1-propan-2-ylspiro[4H-indazole-5,4'-piperidine] is sourced from PubChem (CID 67151281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).