2-[(3-propoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane

C18H28N2O — CID 120906573

IUPAC2-[(3-propoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCCCOc1cccc(CN2CCC3(CCNCC3)C2)c1
InChIInChI=1S/C18H28N2O/c1-2-12-21-17-5-3-4-16(13-17)14-20-11-8-18(15-20)6-9-19-10-7-18/h3-5,13,19H,2,6-12,14-15H2,1H3
InChIKeyUGDPBKOQKMTWLN-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.05
Rot. Bonds5

About 2-[(3-propoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane

2-[(3-propoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 120906573) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[(3-propoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(3-propoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
PubChem CID120906573
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-[(3-propoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCCCOc1cccc(CN2CCC3(CCNCC3)C2)c1
InChIInChI=1S/C18H28N2O/c1-2-12-21-17-5-3-4-16(13-17)14-20-11-8-18(15-20)6-9-19-10-7-18/h3-5,13,19H,2,6-12,14-15H2,1H3
InChIKeyUGDPBKOQKMTWLN-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
CID 120906669
2-[(3-ethoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908142
1-methyl-4-[(3-propoxyphenyl)methyl]piperazine
CID 70470634
3,3-dimethyl-1-[(3-propoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 120781439
1-[[3-(3-methylbutoxy)phenyl]methyl]piperazine
CID 4279742
[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol
CID 54794443
2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
CID 120906848
2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907330
2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 82038611
2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907093
2-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906722
2-[(3,4-dibromophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906816

Frequently Asked Questions

What is the IUPAC name of 2-[(3-propoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[(3-propoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane (CID 120906573) is 2-[(3-propoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(3-propoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(3-propoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane is CCCOc1cccc(CN2CCC3(CCNCC3)C2)c1.
What is the InChIKey of 2-[(3-propoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is UGDPBKOQKMTWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-12-21-17-5-3-4-16(13-17)14-20-11-8-18(15-20)6-9-19-10-7-18/h3-5,13,19H,2,6-12,14-15H2,1H3.
What are the key properties of 2-[(3-propoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane?
2-[(3-propoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 288.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 120906573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).