(4R)-1-[(4-methylphenyl)methyl]-1,7-diazaspiro[3.4]octane

C14H20N2 — CID 148987341

IUPAC(4R)-1-[(4-methylphenyl)methyl]-1,7-diazaspiro[3.4]octane
SMILESCc1ccc(CN2CC[C@@]23CCNC3)cc1
InChIInChI=1S/C14H20N2/c1-12-2-4-13(5-3-12)10-16-9-7-14(16)6-8-15-11-14/h2-5,15H,6-11H2,1H3/t14-/m1/s1
InChIKeyPXAAQTGOTIUFFX-CQSZACIVSA-N
MW216.33 g/mol
LogP1.93
Rot. Bonds2

About (4R)-1-[(4-methylphenyl)methyl]-1,7-diazaspiro[3.4]octane

(4R)-1-[(4-methylphenyl)methyl]-1,7-diazaspiro[3.4]octane (PubChem CID 148987341) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (4R)-1-[(4-methylphenyl)methyl]-1,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name(4R)-1-[(4-methylphenyl)methyl]-1,7-diazaspiro[3.4]octane
PubChem CID148987341
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(4R)-1-[(4-methylphenyl)methyl]-1,7-diazaspiro[3.4]octane
SMILESCc1ccc(CN2CC[C@@]23CCNC3)cc1
InChIInChI=1S/C14H20N2/c1-12-2-4-13(5-3-12)10-16-9-7-14(16)6-8-15-11-14/h2-5,15H,6-11H2,1H3/t14-/m1/s1
InChIKeyPXAAQTGOTIUFFX-CQSZACIVSA-N
XLogP1.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Plerixafor
CID 65015
N-(1,1-Dimethylethyl)benzenemethanamine
CID 76908
1,2-Ethanediamine, N1,N1-dimethyl-N2-(phenylmethyl)-
CID 66029
{4-[(4-Methyl-1,4-diazepan-1-yl)methyl]phenyl}methanamine
CID 18525875
(1-Benzylpyrrolidin-3-yl)methanamine
CID 3157467
(2-Aminoethyl)(benzyl)methylamine
CID 3014812
N-Benzyl-N,N'-dimethylethylenediamine
CID 66016
1-benzyl-N-methylpyrrolidin-3-amine
CID 13787478
N,N'-Dibenzyl-3-aminopyrrolidine
CID 14098325
N-Methyl-4-(pyrrolidin-1-ylmethyl)benzylamine
CID 18525869
Benzyl[2-(diethylamino)ethyl]amine
CID 296044
1-(4-Methylbenzyl)piperazine
CID 764723

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(4-methylphenyl)methyl]-1,7-diazaspiro[3.4]octane?
The IUPAC name of (4R)-1-[(4-methylphenyl)methyl]-1,7-diazaspiro[3.4]octane (CID 148987341) is (4R)-1-[(4-methylphenyl)methyl]-1,7-diazaspiro[3.4]octane.
What is the SMILES notation for (4R)-1-[(4-methylphenyl)methyl]-1,7-diazaspiro[3.4]octane?
The canonical SMILES for (4R)-1-[(4-methylphenyl)methyl]-1,7-diazaspiro[3.4]octane is Cc1ccc(CN2CC[C@@]23CCNC3)cc1.
What is the InChIKey of (4R)-1-[(4-methylphenyl)methyl]-1,7-diazaspiro[3.4]octane?
The InChIKey is PXAAQTGOTIUFFX-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20N2/c1-12-2-4-13(5-3-12)10-16-9-7-14(16)6-8-15-11-14/h2-5,15H,6-11H2,1H3/t14-/m1/s1.
What are the key properties of (4R)-1-[(4-methylphenyl)methyl]-1,7-diazaspiro[3.4]octane?
(4R)-1-[(4-methylphenyl)methyl]-1,7-diazaspiro[3.4]octane has a molecular weight of 216.33 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(4-methylphenyl)methyl]-1,7-diazaspiro[3.4]octane is sourced from PubChem (CID 148987341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).