3-benzyl-1-methyl-1,4-diazaspiro[5.5]undecane

C17H26N2 — CID 64848789

IUPAC3-benzyl-1-methyl-1,4-diazaspiro[5.5]undecane
SMILESCN1CC(Cc2ccccc2)NCC12CCCCC2
InChIInChI=1S/C17H26N2/c1-19-13-16(12-15-8-4-2-5-9-15)18-14-17(19)10-6-3-7-11-17/h2,4-5,8-9,16,18H,3,6-7,10-14H2,1H3
InChIKeyUCZDDXKLCXDJPV-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.84
Rot. Bonds2

About 3-benzyl-1-methyl-1,4-diazaspiro[5.5]undecane

3-benzyl-1-methyl-1,4-diazaspiro[5.5]undecane (PubChem CID 64848789) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-benzyl-1-methyl-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-benzyl-1-methyl-1,4-diazaspiro[5.5]undecane
PubChem CID64848789
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name3-benzyl-1-methyl-1,4-diazaspiro[5.5]undecane
SMILESCN1CC(Cc2ccccc2)NCC12CCCCC2
InChIInChI=1S/C17H26N2/c1-19-13-16(12-15-8-4-2-5-9-15)18-14-17(19)10-6-3-7-11-17/h2,4-5,8-9,16,18H,3,6-7,10-14H2,1H3
InChIKeyUCZDDXKLCXDJPV-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-benzyl-6-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64848019
8-benzyl-6-methyl-6,9-diazaspiro[4.5]decan-10-one
CID 91595061
5-benzyl-1-(2-fluoroethyl)-2,2-dimethylpiperazine
CID 80697002
(2S)-2-benzyl-4-methyl-1,4-diazaspiro[5.5]undecane
CID 102595479
6-benzyl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 64848189
5-benzyl-1-butyl-2,2-diethylpiperazine
CID 64850140
5-benzyl-2,2-dimethyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64848014
5-benzyl-2-ethyl-2-methyl-1-pentylpiperazine
CID 64849755
5-benzyl-2,2-diethyl-1-(2-methoxyethyl)piperazine
CID 64847634
(2S,5S)-5-benzyl-1,2-dimethylpiperazine
CID 82396489
5-benzyl-1-methylpiperazin-2-one
CID 44630649
5-benzyl-2-cyclopropyl-1-(cyclopropylmethyl)-2-methylpiperazine
CID 64848984

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-methyl-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 3-benzyl-1-methyl-1,4-diazaspiro[5.5]undecane (CID 64848789) is 3-benzyl-1-methyl-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-benzyl-1-methyl-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 3-benzyl-1-methyl-1,4-diazaspiro[5.5]undecane is CN1CC(Cc2ccccc2)NCC12CCCCC2.
What is the InChIKey of 3-benzyl-1-methyl-1,4-diazaspiro[5.5]undecane?
The InChIKey is UCZDDXKLCXDJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-19-13-16(12-15-8-4-2-5-9-15)18-14-17(19)10-6-3-7-11-17/h2,4-5,8-9,16,18H,3,6-7,10-14H2,1H3.
What are the key properties of 3-benzyl-1-methyl-1,4-diazaspiro[5.5]undecane?
3-benzyl-1-methyl-1,4-diazaspiro[5.5]undecane has a molecular weight of 258.41 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-methyl-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64848789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).