4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane

C17H26N2 — CID 64831883

IUPAC4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESCc1cccc(CN2CCNC3(CCCCC3)C2)c1
InChIInChI=1S/C17H26N2/c1-15-6-5-7-16(12-15)13-19-11-10-18-17(14-19)8-3-2-4-9-17/h5-7,12,18H,2-4,8-11,13-14H2,1H3
InChIKeyDSGVTJDVPYDWIT-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.10
Rot. Bonds2

About 4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane

4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane (PubChem CID 64831883) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane
PubChem CID64831883
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESCc1cccc(CN2CCNC3(CCCCC3)C2)c1
InChIInChI=1S/C17H26N2/c1-15-6-5-7-16(12-15)13-19-11-10-18-17(14-19)8-3-2-4-9-17/h5-7,12,18H,2-4,8-11,13-14H2,1H3
InChIKeyDSGVTJDVPYDWIT-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

10-[(3-methylphenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64869306
10-[2-(3-methylphenyl)ethyl]-6,10-diazaspiro[4.6]undecane
CID 64949372
10-methyl-11-[(3-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane
CID 64870965
3-methyl-1-[(3-methylphenyl)methyl]-3-phenylpiperazine
CID 64832083
4-[(2,6-difluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 115882998
9-[(6-methyl-3-pyridinyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64952394
9-[(3-bromo-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64833468
9-[(2-methoxy-5-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64833057
9-[(4-propan-2-ylphenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64832860
9-[(3-chloro-4-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64952975
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
(5R)-9-benzyl-1,9-diazaspiro[4.5]decane
CID 86332339

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane (CID 64831883) is 4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane is Cc1cccc(CN2CCNC3(CCCCC3)C2)c1.
What is the InChIKey of 4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane?
The InChIKey is DSGVTJDVPYDWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-15-6-5-7-16(12-15)13-19-11-10-18-17(14-19)8-3-2-4-9-17/h5-7,12,18H,2-4,8-11,13-14H2,1H3.
What are the key properties of 4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane?
4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane has a molecular weight of 258.41 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 64831883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).