7-[[4-(3-methoxypropyl)piperazin-1-yl]methyl]-2-methyl-2-azaspiro[3.5]nonane

C18H35N3O — CID 175627013

IUPAC7-[[4-(3-methoxypropyl)piperazin-1-yl]methyl]-2-methyl-2-azaspiro[3.5]nonane
SMILESCOCCCN1CCN(CC2CCC3(CC2)CN(C)C3)CC1
InChIInChI=1S/C18H35N3O/c1-19-15-18(16-19)6-4-17(5-7-18)14-21-11-9-20(10-12-21)8-3-13-22-2/h17H,3-16H2,1-2H3
InChIKeyHJIIBHAKMHEIOP-UHFFFAOYSA-N
MW309.50 g/mol
LogP1.76
Rot. Bonds6

About 7-[[4-(3-methoxypropyl)piperazin-1-yl]methyl]-2-methyl-2-azaspiro[3.5]nonane

7-[[4-(3-methoxypropyl)piperazin-1-yl]methyl]-2-methyl-2-azaspiro[3.5]nonane (PubChem CID 175627013) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is 7-[[4-(3-methoxypropyl)piperazin-1-yl]methyl]-2-methyl-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[[4-(3-methoxypropyl)piperazin-1-yl]methyl]-2-methyl-2-azaspiro[3.5]nonane
PubChem CID175627013
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC Name7-[[4-(3-methoxypropyl)piperazin-1-yl]methyl]-2-methyl-2-azaspiro[3.5]nonane
SMILESCOCCCN1CCN(CC2CCC3(CC2)CN(C)C3)CC1
InChIInChI=1S/C18H35N3O/c1-19-15-18(16-19)6-4-17(5-7-18)14-21-11-9-20(10-12-21)8-3-13-22-2/h17H,3-16H2,1-2H3
InChIKeyHJIIBHAKMHEIOP-UHFFFAOYSA-N
XLogP1.76
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[(2-methyl-2-azaspiro[3.5]nonan-7-yl)methyl]piperidin-4-yl]azanium
CID 177319175
7-[(1-ethylpiperidin-4-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
CID 171641209
1-(3-methoxypropyl)piperidin-4-amine;hydrochloride
CID 141311767
9-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 56896311
2-tert-butyl-7-[(4-tert-butylpiperazin-1-yl)methyl]-2-azaspiro[3.5]nonane
CID 176795458
4-iodo-1-(3-methoxypropyl)piperidine
CID 166738892
6-methyl-2-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 156719594
1-(2-methoxyethyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 167091343
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane
CID 47042992
4-(3-methoxypropyl)piperazin-1-amine
CID 158082524
9-(cyclopropylmethyl)-2-methyl-2,9-diazaspiro[5.5]undecane
CID 171845215
ethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 176581794

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(3-methoxypropyl)piperazin-1-yl]methyl]-2-methyl-2-azaspiro[3.5]nonane?
The IUPAC name of 7-[[4-(3-methoxypropyl)piperazin-1-yl]methyl]-2-methyl-2-azaspiro[3.5]nonane (CID 175627013) is 7-[[4-(3-methoxypropyl)piperazin-1-yl]methyl]-2-methyl-2-azaspiro[3.5]nonane.
What is the SMILES notation for 7-[[4-(3-methoxypropyl)piperazin-1-yl]methyl]-2-methyl-2-azaspiro[3.5]nonane?
The canonical SMILES for 7-[[4-(3-methoxypropyl)piperazin-1-yl]methyl]-2-methyl-2-azaspiro[3.5]nonane is COCCCN1CCN(CC2CCC3(CC2)CN(C)C3)CC1.
What is the InChIKey of 7-[[4-(3-methoxypropyl)piperazin-1-yl]methyl]-2-methyl-2-azaspiro[3.5]nonane?
The InChIKey is HJIIBHAKMHEIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O/c1-19-15-18(16-19)6-4-17(5-7-18)14-21-11-9-20(10-12-21)8-3-13-22-2/h17H,3-16H2,1-2H3.
What are the key properties of 7-[[4-(3-methoxypropyl)piperazin-1-yl]methyl]-2-methyl-2-azaspiro[3.5]nonane?
7-[[4-(3-methoxypropyl)piperazin-1-yl]methyl]-2-methyl-2-azaspiro[3.5]nonane has a molecular weight of 309.50 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(3-methoxypropyl)piperazin-1-yl]methyl]-2-methyl-2-azaspiro[3.5]nonane is sourced from PubChem (CID 175627013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).