2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane

C16H31N3 — CID 155702528

IUPAC2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane
SMILESCC(C)N1CCC2(CC1)CC(CN1CCNCC1)C2
InChIInChI=1S/C16H31N3/c1-14(2)19-7-3-16(4-8-19)11-15(12-16)13-18-9-5-17-6-10-18/h14-15,17H,3-13H2,1-2H3
InChIKeyUZEWBIKHHRMPOO-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.79
Rot. Bonds3

About 2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane

2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane (PubChem CID 155702528) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane
PubChem CID155702528
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane
SMILESCC(C)N1CCC2(CC1)CC(CN1CCNCC1)C2
InChIInChI=1S/C16H31N3/c1-14(2)19-7-3-16(4-8-19)11-15(12-16)13-18-9-5-17-6-10-18/h14-15,17H,3-13H2,1-2H3
InChIKeyUZEWBIKHHRMPOO-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 155702527
3-propan-2-yl-9-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155702525
2-[(4-tert-butylpiperidin-1-yl)methyl]-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 176760588
7-ethyl-2-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 155702599
3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
[1-[[2-(piperazin-1-ylmethyl)-7-azaspiro[3.5]nonan-7-yl]methyl]cyclopropyl]methanol
CID 171656853
2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
CID 174274213
1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 134505376
N-methyl-1-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methanamine
CID 170211191
3-[(7-iodo-7-azaspiro[3.5]nonan-2-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 167091283
1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170952005
3-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)propan-1-amine
CID 165404477

Frequently Asked Questions

What is the IUPAC name of 2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane?
The IUPAC name of 2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane (CID 155702528) is 2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane is CC(C)N1CCC2(CC1)CC(CN1CCNCC1)C2.
What is the InChIKey of 2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane?
The InChIKey is UZEWBIKHHRMPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-14(2)19-7-3-16(4-8-19)11-15(12-16)13-18-9-5-17-6-10-18/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane?
2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane has a molecular weight of 265.44 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane is sourced from PubChem (CID 155702528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).