3-(2-chloro-4-methylphenyl)-3,9-diazaspiro[5.5]undecane

C16H23ClN2 — CID 170254534

IUPAC3-(2-chloro-4-methylphenyl)-3,9-diazaspiro[5.5]undecane
SMILESCc1ccc(N2CCC3(CCNCC3)CC2)c(Cl)c1
InChIInChI=1S/C16H23ClN2/c1-13-2-3-15(14(17)12-13)19-10-6-16(7-11-19)4-8-18-9-5-16/h2-3,12,18H,4-11H2,1H3
InChIKeyQABHLHKFMIEEFQ-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.62
Rot. Bonds1

About 3-(2-chloro-4-methylphenyl)-3,9-diazaspiro[5.5]undecane

3-(2-chloro-4-methylphenyl)-3,9-diazaspiro[5.5]undecane (PubChem CID 170254534) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenyl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(2-chloro-4-methylphenyl)-3,9-diazaspiro[5.5]undecane
PubChem CID170254534
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name3-(2-chloro-4-methylphenyl)-3,9-diazaspiro[5.5]undecane
SMILESCc1ccc(N2CCC3(CCNCC3)CC2)c(Cl)c1
InChIInChI=1S/C16H23ClN2/c1-13-2-3-15(14(17)12-13)19-10-6-16(7-11-19)4-8-18-9-5-16/h2-3,12,18H,4-11H2,1H3
InChIKeyQABHLHKFMIEEFQ-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-chloro-4-methylphenyl)-3,9-diazaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[3.5]nonane
CID 170250864
3-(2,5-dimethylphenyl)-3,9-diazaspiro[5.5]undecane
CID 117028752
1-(2-chloro-4-methylphenyl)-4,4-dimethoxypiperidine
CID 19957775
2-(5-chloro-2-methylphenyl)-2,8-diazaspiro[4.5]decane
CID 82486515
3-(4-chlorophenyl)-3,9-diazaspiro[5.5]undecane
CID 15940805
(3S)-1-(2-chloro-4-methylphenyl)-3-methylpiperazine
CID 96801099
3-(2-bromophenyl)-3,9-diazaspiro[5.5]undecane
CID 117028760
5-methyl-2-piperazin-1-ylaniline
CID 62137468
4-(3-azaspiro[5.5]undecan-3-yl)-3-chlorobenzonitrile
CID 63510167
(2R)-1-(2-chloro-4-methylphenyl)-2-methylpiperazine
CID 96808511
4-(3-azaspiro[5.5]undecan-3-yl)-3-chloroaniline
CID 55133879
4-[(5R)-7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
CID 69493240

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methylphenyl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-(2-chloro-4-methylphenyl)-3,9-diazaspiro[5.5]undecane (CID 170254534) is 3-(2-chloro-4-methylphenyl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-(2-chloro-4-methylphenyl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-(2-chloro-4-methylphenyl)-3,9-diazaspiro[5.5]undecane is Cc1ccc(N2CCC3(CCNCC3)CC2)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-methylphenyl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is QABHLHKFMIEEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-13-2-3-15(14(17)12-13)19-10-6-16(7-11-19)4-8-18-9-5-16/h2-3,12,18H,4-11H2,1H3.
What are the key properties of 3-(2-chloro-4-methylphenyl)-3,9-diazaspiro[5.5]undecane?
3-(2-chloro-4-methylphenyl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 278.83 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methylphenyl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 170254534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).