(5S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane

C17H25ClN2O2 — CID 95227016

IUPAC(5S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCOc1cc(Cl)cc(CN2CC[C@]3(CCCNC3)C2)c1OC
InChIInChI=1S/C17H25ClN2O2/c1-21-15-9-14(18)8-13(16(15)22-2)10-20-7-5-17(12-20)4-3-6-19-11-17/h8-9,19H,3-7,10-12H2,1-2H3/t17-/m0/s1
InChIKeyWTFSBQDMXYTQKJ-KRWDZBQOSA-N
MW324.85 g/mol
LogP2.93
Rot. Bonds4

About (5S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane

(5S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane (PubChem CID 95227016) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is (5S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
PubChem CID95227016
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name(5S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCOc1cc(Cl)cc(CN2CC[C@]3(CCCNC3)C2)c1OC
InChIInChI=1S/C17H25ClN2O2/c1-21-15-9-14(18)8-13(16(15)22-2)10-20-7-5-17(12-20)4-3-6-19-11-17/h8-9,19H,3-7,10-12H2,1-2H3/t17-/m0/s1
InChIKeyWTFSBQDMXYTQKJ-KRWDZBQOSA-N
XLogP2.93
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dichloro-2-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907677
2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
CID 45246733
2-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 56757251
2-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 56744612
9-[(5-chloro-2,3-dimethoxyphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 74233749
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 95729851
2-[(2,5-dichlorophenyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 82038748
2-[(2-chloro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120966878
2-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-6-methoxyphenol
CID 102849331
2-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907793
2-[(3-chloro-4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908725
2-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120907704

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane (CID 95227016) is (5S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane is COc1cc(Cl)cc(CN2CC[C@]3(CCCNC3)C2)c1OC.
What is the InChIKey of (5S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is WTFSBQDMXYTQKJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-21-15-9-14(18)8-13(16(15)22-2)10-20-7-5-17(12-20)4-3-6-19-11-17/h8-9,19H,3-7,10-12H2,1-2H3/t17-/m0/s1.
What are the key properties of (5S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane?
(5S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 324.85 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 95227016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).