4-[3-[4-(2,7-diazaspiro[4.5]decan-7-ylmethyl)phenoxy]propyl]morpholine

C22H35N3O2 — CID 74230951

IUPAC4-[3-[4-(2,7-diazaspiro[4.5]decan-7-ylmethyl)phenoxy]propyl]morpholine
SMILESc1cc(OCCCN2CCOCC2)ccc1CN1CCCC2(CCNC2)C1
InChIInChI=1S/C22H35N3O2/c1-7-22(8-9-23-18-22)19-25(10-1)17-20-3-5-21(6-4-20)27-14-2-11-24-12-15-26-16-13-24/h3-6,23H,1-2,7-19H2
InChIKeyJWHXWVQLTUTWJT-UHFFFAOYSA-N
MW373.54 g/mol
LogP2.36
Rot. Bonds7

About 4-[3-[4-(2,7-diazaspiro[4.5]decan-7-ylmethyl)phenoxy]propyl]morpholine

4-[3-[4-(2,7-diazaspiro[4.5]decan-7-ylmethyl)phenoxy]propyl]morpholine (PubChem CID 74230951) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 4-[3-[4-(2,7-diazaspiro[4.5]decan-7-ylmethyl)phenoxy]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(2,7-diazaspiro[4.5]decan-7-ylmethyl)phenoxy]propyl]morpholine
PubChem CID74230951
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name4-[3-[4-(2,7-diazaspiro[4.5]decan-7-ylmethyl)phenoxy]propyl]morpholine
SMILESc1cc(OCCCN2CCOCC2)ccc1CN1CCCC2(CCNC2)C1
InChIInChI=1S/C22H35N3O2/c1-7-22(8-9-23-18-22)19-25(10-1)17-20-3-5-21(6-4-20)27-14-2-11-24-12-15-26-16-13-24/h3-6,23H,1-2,7-19H2
InChIKeyJWHXWVQLTUTWJT-UHFFFAOYSA-N
XLogP2.36
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]propyl]morpholine
CID 135096793
(5R)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 95724567
7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 56909663
6-[(4-fluorophenoxy)methyl]-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-1,4-oxazepan-6-ol
CID 132773107
4-(3-morpholin-4-ylpropoxy)benzonitrile
CID 2993836
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]morpholine
CID 11545550
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
N-benzyl-5-[[(5R)-2,7-diazaspiro[4.5]decan-7-yl]methyl]pyrimidin-2-amine
CID 95203310
8-benzyl-3,8-diazaspiro[5.6]dodecane
CID 82665591
2-[(4-nitrophenyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849321
formic acid;9-methyl-1-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 171317278

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2,7-diazaspiro[4.5]decan-7-ylmethyl)phenoxy]propyl]morpholine?
The IUPAC name of 4-[3-[4-(2,7-diazaspiro[4.5]decan-7-ylmethyl)phenoxy]propyl]morpholine (CID 74230951) is 4-[3-[4-(2,7-diazaspiro[4.5]decan-7-ylmethyl)phenoxy]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(2,7-diazaspiro[4.5]decan-7-ylmethyl)phenoxy]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(2,7-diazaspiro[4.5]decan-7-ylmethyl)phenoxy]propyl]morpholine is c1cc(OCCCN2CCOCC2)ccc1CN1CCCC2(CCNC2)C1.
What is the InChIKey of 4-[3-[4-(2,7-diazaspiro[4.5]decan-7-ylmethyl)phenoxy]propyl]morpholine?
The InChIKey is JWHXWVQLTUTWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-7-22(8-9-23-18-22)19-25(10-1)17-20-3-5-21(6-4-20)27-14-2-11-24-12-15-26-16-13-24/h3-6,23H,1-2,7-19H2.
What are the key properties of 4-[3-[4-(2,7-diazaspiro[4.5]decan-7-ylmethyl)phenoxy]propyl]morpholine?
4-[3-[4-(2,7-diazaspiro[4.5]decan-7-ylmethyl)phenoxy]propyl]morpholine has a molecular weight of 373.54 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(2,7-diazaspiro[4.5]decan-7-ylmethyl)phenoxy]propyl]morpholine is sourced from PubChem (CID 74230951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).