2-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]-7-azaspiro[3.5]nonane

C20H30N2 — CID 171069822

IUPAC2-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]-7-azaspiro[3.5]nonane
SMILESCc1ccc(C2CCN(CC3CC4(CCNCC4)C3)C2)cc1
InChIInChI=1S/C20H30N2/c1-16-2-4-18(5-3-16)19-6-11-22(15-19)14-17-12-20(13-17)7-9-21-10-8-20/h2-5,17,19,21H,6-15H2,1H3
InChIKeyGXQOBIGKRVGOAP-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.56
Rot. Bonds3

About 2-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]-7-azaspiro[3.5]nonane

2-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]-7-azaspiro[3.5]nonane (PubChem CID 171069822) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]-7-azaspiro[3.5]nonane
PubChem CID171069822
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name2-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]-7-azaspiro[3.5]nonane
SMILESCc1ccc(C2CCN(CC3CC4(CCNCC4)C3)C2)cc1
InChIInChI=1S/C20H30N2/c1-16-2-4-18(5-3-16)19-6-11-22(15-19)14-17-12-20(13-17)7-9-21-10-8-20/h2-5,17,19,21H,6-15H2,1H3
InChIKeyGXQOBIGKRVGOAP-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-4-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine
CID 171429424
ethane;1-[(1-methylazetidin-3-yl)methyl]-4-(4-methylphenyl)piperidine
CID 171070213
1-(cyclopentylmethyl)-3-[4-(4-methylphenyl)phenyl]piperidine
CID 155742728
4-(4-methylphenyl)-1-(oxolan-3-ylmethyl)piperidine
CID 155201522
ethane;4-(4-methylphenyl)piperidine
CID 145467036
3-[(7-iodo-7-azaspiro[3.5]nonan-2-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 167091283
3-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]piperidine
CID 120858125
4-[[3-(3-fluorophenyl)pyrrolidin-1-yl]methyl]piperidine;hydrochloride
CID 119931475
4-[1-(piperidin-4-ylmethyl)piperidin-4-yl]pyridine
CID 18328928
1-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperazine
CID 171070054
ethane;1-methyl-4-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine;1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine
CID 171070146
3-(4-methylphenyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine
CID 142368102

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]-7-azaspiro[3.5]nonane?
The IUPAC name of 2-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]-7-azaspiro[3.5]nonane (CID 171069822) is 2-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]-7-azaspiro[3.5]nonane is Cc1ccc(C2CCN(CC3CC4(CCNCC4)C3)C2)cc1.
What is the InChIKey of 2-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]-7-azaspiro[3.5]nonane?
The InChIKey is GXQOBIGKRVGOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2/c1-16-2-4-18(5-3-16)19-6-11-22(15-19)14-17-12-20(13-17)7-9-21-10-8-20/h2-5,17,19,21H,6-15H2,1H3.
What are the key properties of 2-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]-7-azaspiro[3.5]nonane?
2-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]-7-azaspiro[3.5]nonane has a molecular weight of 298.47 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]-7-azaspiro[3.5]nonane is sourced from PubChem (CID 171069822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).