6-[4-(4-methylpent-2-ynyl)piperazin-1-yl]-2-propan-2-yl-2-azaspiro[3.3]heptane

C19H33N3 — CID 177125941

IUPAC6-[4-(4-methylpent-2-ynyl)piperazin-1-yl]-2-propan-2-yl-2-azaspiro[3.3]heptane
SMILESCC(C)C#CCN1CCN(C2CC3(C2)CN(C(C)C)C3)CC1
InChIInChI=1S/C19H33N3/c1-16(2)6-5-7-20-8-10-21(11-9-20)18-12-19(13-18)14-22(15-19)17(3)4/h16-18H,7-15H2,1-4H3
InChIKeyVOLYEOWAGUYDLQ-UHFFFAOYSA-N
MW303.49 g/mol
LogP2.14
Rot. Bonds3

About 6-[4-(4-methylpent-2-ynyl)piperazin-1-yl]-2-propan-2-yl-2-azaspiro[3.3]heptane

6-[4-(4-methylpent-2-ynyl)piperazin-1-yl]-2-propan-2-yl-2-azaspiro[3.3]heptane (PubChem CID 177125941) has the molecular formula C19H33N3 and a molecular weight of 303.49 g/mol. Its IUPAC name is 6-[4-(4-methylpent-2-ynyl)piperazin-1-yl]-2-propan-2-yl-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[4-(4-methylpent-2-ynyl)piperazin-1-yl]-2-propan-2-yl-2-azaspiro[3.3]heptane
PubChem CID177125941
Molecular FormulaC19H33N3
Molecular Weight303.49 g/mol
Exact Mass303.27
IUPAC Name6-[4-(4-methylpent-2-ynyl)piperazin-1-yl]-2-propan-2-yl-2-azaspiro[3.3]heptane
SMILESCC(C)C#CCN1CCN(C2CC3(C2)CN(C(C)C)C3)CC1
InChIInChI=1S/C19H33N3/c1-16(2)6-5-7-20-8-10-21(11-9-20)18-12-19(13-18)14-22(15-19)17(3)4/h16-18H,7-15H2,1-4H3
InChIKeyVOLYEOWAGUYDLQ-UHFFFAOYSA-N
XLogP2.14
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yl-6-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-2-azaspiro[3.3]heptane
CID 168786044
1-[1-(4-methylpentyl)piperidin-4-yl]-4-(4-methylpent-2-ynyl)piperazine
CID 177125916
7-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-7-azaspiro[3.5]nonane
CID 166030716
N,N-dimethyl-1-(4-methylpent-2-ynyl)piperidin-4-amine
CID 58949437
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane
CID 20781150
(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)methanol
CID 162704145
ethane;1-(7-methylspiro[3.5]nonan-2-yl)-4-propan-2-ylpiperazine
CID 176984800
7-propan-2-yl-2-[[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]methyl]-2,7-diazaspiro[3.5]nonane
CID 176568917
8-(4-methylpent-2-ynyl)-5-oxa-8-azaspiro[3.5]nonane
CID 171591165
6-(difluoromethyl)-2-propan-2-yl-2-azaspiro[3.3]heptane
CID 167340198
7-cyclohexyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;ethene
CID 176984351
6-(difluoromethyl)-2-propan-2-yl-2-azaspiro[3.3]heptane;ethane
CID 172624374

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methylpent-2-ynyl)piperazin-1-yl]-2-propan-2-yl-2-azaspiro[3.3]heptane?
The IUPAC name of 6-[4-(4-methylpent-2-ynyl)piperazin-1-yl]-2-propan-2-yl-2-azaspiro[3.3]heptane (CID 177125941) is 6-[4-(4-methylpent-2-ynyl)piperazin-1-yl]-2-propan-2-yl-2-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[4-(4-methylpent-2-ynyl)piperazin-1-yl]-2-propan-2-yl-2-azaspiro[3.3]heptane?
The canonical SMILES for 6-[4-(4-methylpent-2-ynyl)piperazin-1-yl]-2-propan-2-yl-2-azaspiro[3.3]heptane is CC(C)C#CCN1CCN(C2CC3(C2)CN(C(C)C)C3)CC1.
What is the InChIKey of 6-[4-(4-methylpent-2-ynyl)piperazin-1-yl]-2-propan-2-yl-2-azaspiro[3.3]heptane?
The InChIKey is VOLYEOWAGUYDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3/c1-16(2)6-5-7-20-8-10-21(11-9-20)18-12-19(13-18)14-22(15-19)17(3)4/h16-18H,7-15H2,1-4H3.
What are the key properties of 6-[4-(4-methylpent-2-ynyl)piperazin-1-yl]-2-propan-2-yl-2-azaspiro[3.3]heptane?
6-[4-(4-methylpent-2-ynyl)piperazin-1-yl]-2-propan-2-yl-2-azaspiro[3.3]heptane has a molecular weight of 303.49 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methylpent-2-ynyl)piperazin-1-yl]-2-propan-2-yl-2-azaspiro[3.3]heptane is sourced from PubChem (CID 177125941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).