7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[3.5]nonane

C14H19ClN2 — CID 170250864

IUPAC7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[3.5]nonane
SMILESCc1ccc(N2CCC3(CC2)CNC3)c(Cl)c1
InChIInChI=1S/C14H19ClN2/c1-11-2-3-13(12(15)8-11)17-6-4-14(5-7-17)9-16-10-14/h2-3,8,16H,4-7,9-10H2,1H3
InChIKeyQYEMVFCHMKBFGI-UHFFFAOYSA-N
MW250.77 g/mol
LogP2.84
Rot. Bonds1

About 7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[3.5]nonane

7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[3.5]nonane (PubChem CID 170250864) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[3.5]nonane
PubChem CID170250864
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[3.5]nonane
SMILESCc1ccc(N2CCC3(CC2)CNC3)c(Cl)c1
InChIInChI=1S/C14H19ClN2/c1-11-2-3-13(12(15)8-11)17-6-4-14(5-7-17)9-16-10-14/h2-3,8,16H,4-7,9-10H2,1H3
InChIKeyQYEMVFCHMKBFGI-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-4-methylphenyl)-3,9-diazaspiro[5.5]undecane
CID 170254534
1-(2-chloro-4-methylphenyl)-4,4-dimethoxypiperidine
CID 19957775
3-(2,5-dimethylphenyl)-3,9-diazaspiro[5.5]undecane
CID 117028752
(3S)-1-(2-chloro-4-methylphenyl)-3-methylpiperazine
CID 96801099
4-[(5R)-7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
CID 69493240
1-[4-(3-azaspiro[5.5]undecan-3-yl)-3-chlorophenyl]ethanamine
CID 63532102
(2R)-1-(2-chloro-4-methylphenyl)-2-methylpiperazine
CID 96808511
4-(3-azaspiro[5.5]undecan-3-yl)-3-chloroaniline
CID 55133879
1-(2-chloro-4-methylphenyl)-3-cyclopropyl-3-methyl-1,4-diazepane
CID 64942415
1-[4-(8-azaspiro[4.5]decan-8-yl)-3-chlorophenyl]ethanone
CID 63158222
6-(5-methyl-2-prop-1-en-2-ylphenyl)-6-azaspiro[2.5]octane
CID 166801108
8-[2-chloro-4-(chloromethyl)phenyl]-8-azaspiro[4.5]decane
CID 81151754

Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[3.5]nonane (CID 170250864) is 7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[3.5]nonane is Cc1ccc(N2CCC3(CC2)CNC3)c(Cl)c1.
What is the InChIKey of 7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[3.5]nonane?
The InChIKey is QYEMVFCHMKBFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2/c1-11-2-3-13(12(15)8-11)17-6-4-14(5-7-17)9-16-10-14/h2-3,8,16H,4-7,9-10H2,1H3.
What are the key properties of 7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[3.5]nonane?
7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[3.5]nonane has a molecular weight of 250.77 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-4-methylphenyl)-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 170250864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).