[1-[[2-(piperazin-1-ylmethyl)-7-azaspiro[3.5]nonan-7-yl]methyl]cyclopropyl]methanol

C18H33N3O — CID 171656853

IUPAC[1-[[2-(piperazin-1-ylmethyl)-7-azaspiro[3.5]nonan-7-yl]methyl]cyclopropyl]methanol
SMILESOCC1(CN2CCC3(CC2)CC(CN2CCNCC2)C3)CC1
InChIInChI=1S/C18H33N3O/c22-15-18(1-2-18)14-21-7-3-17(4-8-21)11-16(12-17)13-20-9-5-19-6-10-20/h16,19,22H,1-15H2
InChIKeyYXEGEVBCOFCKQQ-UHFFFAOYSA-N
MW307.48 g/mol
LogP1.16
Rot. Bonds5

About [1-[[2-(piperazin-1-ylmethyl)-7-azaspiro[3.5]nonan-7-yl]methyl]cyclopropyl]methanol

[1-[[2-(piperazin-1-ylmethyl)-7-azaspiro[3.5]nonan-7-yl]methyl]cyclopropyl]methanol (PubChem CID 171656853) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is [1-[[2-(piperazin-1-ylmethyl)-7-azaspiro[3.5]nonan-7-yl]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[2-(piperazin-1-ylmethyl)-7-azaspiro[3.5]nonan-7-yl]methyl]cyclopropyl]methanol
PubChem CID171656853
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC Name[1-[[2-(piperazin-1-ylmethyl)-7-azaspiro[3.5]nonan-7-yl]methyl]cyclopropyl]methanol
SMILESOCC1(CN2CCC3(CC2)CC(CN2CCNCC2)C3)CC1
InChIInChI=1S/C18H33N3O/c22-15-18(1-2-18)14-21-7-3-17(4-8-21)11-16(12-17)13-20-9-5-19-6-10-20/h16,19,22H,1-15H2
InChIKeyYXEGEVBCOFCKQQ-UHFFFAOYSA-N
XLogP1.16
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[[2-(piperazin-1-ylmethyl)-7-azaspiro[3.5]nonan-7-yl]methyl]cyclopropyl]methanol with MolForge

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Related Compounds

2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 155702528
ethane;2-(piperazin-1-ylmethyl)-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 155702527
[1-methyl-4-(piperazin-1-ylmethyl)piperidin-4-yl]methanol
CID 82509991
3-[(7-iodo-7-azaspiro[3.5]nonan-2-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 167091283
2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
CID 174274213
ethane;[1-[[4-(2-piperazin-1-ylethoxymethyl)piperazin-1-yl]methyl]cyclopropyl]methanol
CID 171083722
[1-[(4-methylpiperidin-1-yl)methyl]cyclopropyl]methanol
CID 82111584
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
7-azaspiro[3.5]nonan-2-ylmethanol
CID 66837624
[4-benzyl-1-(piperidin-4-ylmethyl)piperidin-4-yl]methanol
CID 120858035
[1-(selenomorpholin-4-ylmethyl)cyclopropyl]methanol
CID 171479158
[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methanol
CID 82111602

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(piperazin-1-ylmethyl)-7-azaspiro[3.5]nonan-7-yl]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[2-(piperazin-1-ylmethyl)-7-azaspiro[3.5]nonan-7-yl]methyl]cyclopropyl]methanol (CID 171656853) is [1-[[2-(piperazin-1-ylmethyl)-7-azaspiro[3.5]nonan-7-yl]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[2-(piperazin-1-ylmethyl)-7-azaspiro[3.5]nonan-7-yl]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[2-(piperazin-1-ylmethyl)-7-azaspiro[3.5]nonan-7-yl]methyl]cyclopropyl]methanol is OCC1(CN2CCC3(CC2)CC(CN2CCNCC2)C3)CC1.
What is the InChIKey of [1-[[2-(piperazin-1-ylmethyl)-7-azaspiro[3.5]nonan-7-yl]methyl]cyclopropyl]methanol?
The InChIKey is YXEGEVBCOFCKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O/c22-15-18(1-2-18)14-21-7-3-17(4-8-21)11-16(12-17)13-20-9-5-19-6-10-20/h16,19,22H,1-15H2.
What are the key properties of [1-[[2-(piperazin-1-ylmethyl)-7-azaspiro[3.5]nonan-7-yl]methyl]cyclopropyl]methanol?
[1-[[2-(piperazin-1-ylmethyl)-7-azaspiro[3.5]nonan-7-yl]methyl]cyclopropyl]methanol has a molecular weight of 307.48 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(piperazin-1-ylmethyl)-7-azaspiro[3.5]nonan-7-yl]methyl]cyclopropyl]methanol is sourced from PubChem (CID 171656853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).