8-(1-benzylpiperidin-4-yl)-1-methyl-1,8-diazaspiro[4.5]decane

C21H33N3 — CID 145314400

IUPAC8-(1-benzylpiperidin-4-yl)-1-methyl-1,8-diazaspiro[4.5]decane
SMILESCN1CCCC12CCN(C1CCN(Cc3ccccc3)CC1)CC2
InChIInChI=1S/C21H33N3/c1-22-13-5-10-21(22)11-16-24(17-12-21)20-8-14-23(15-9-20)18-19-6-3-2-4-7-19/h2-4,6-7,20H,5,8-18H2,1H3
InChIKeyQMYIGMNAKNQMAB-UHFFFAOYSA-N
MW327.52 g/mol
LogP3.21
Rot. Bonds3

About 8-(1-benzylpiperidin-4-yl)-1-methyl-1,8-diazaspiro[4.5]decane

8-(1-benzylpiperidin-4-yl)-1-methyl-1,8-diazaspiro[4.5]decane (PubChem CID 145314400) has the molecular formula C21H33N3 and a molecular weight of 327.52 g/mol. Its IUPAC name is 8-(1-benzylpiperidin-4-yl)-1-methyl-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(1-benzylpiperidin-4-yl)-1-methyl-1,8-diazaspiro[4.5]decane
PubChem CID145314400
Molecular FormulaC21H33N3
Molecular Weight327.52 g/mol
Exact Mass327.27
IUPAC Name8-(1-benzylpiperidin-4-yl)-1-methyl-1,8-diazaspiro[4.5]decane
SMILESCN1CCCC12CCN(C1CCN(Cc3ccccc3)CC1)CC2
InChIInChI=1S/C21H33N3/c1-22-13-5-10-21(22)11-16-24(17-12-21)20-8-14-23(15-9-20)18-19-6-3-2-4-7-19/h2-4,6-7,20H,5,8-18H2,1H3
InChIKeyQMYIGMNAKNQMAB-UHFFFAOYSA-N
XLogP3.21
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.52
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
1-benzyl-4-cyclopropylpiperazine
CID 69195043
1-(1-benzylpiperidin-4-yl)-4-butylpiperazine
CID 68897580
1-(1-benzylpiperidin-4-yl)piperidin-4-ol
CID 67272846
1-(1-benzylpiperidin-4-yl)-4-tert-butylpiperazine
CID 68898535
8-(1-benzylpiperidin-4-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72886032
1-benzyl-4-(3-methylpiperidin-1-yl)piperidine
CID 2846252
4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine
CID 171913248
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692
1-(1-benzylpiperidin-4-yl)-4-(2-iodopropan-2-yl)piperazine
CID 163881798
3-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine
CID 21109896
1-(1-benzylpyrrolidin-3-yl)-N,4-dimethylpiperidin-4-amine
CID 115303946

Frequently Asked Questions

What is the IUPAC name of 8-(1-benzylpiperidin-4-yl)-1-methyl-1,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(1-benzylpiperidin-4-yl)-1-methyl-1,8-diazaspiro[4.5]decane (CID 145314400) is 8-(1-benzylpiperidin-4-yl)-1-methyl-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(1-benzylpiperidin-4-yl)-1-methyl-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(1-benzylpiperidin-4-yl)-1-methyl-1,8-diazaspiro[4.5]decane is CN1CCCC12CCN(C1CCN(Cc3ccccc3)CC1)CC2.
What is the InChIKey of 8-(1-benzylpiperidin-4-yl)-1-methyl-1,8-diazaspiro[4.5]decane?
The InChIKey is QMYIGMNAKNQMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3/c1-22-13-5-10-21(22)11-16-24(17-12-21)20-8-14-23(15-9-20)18-19-6-3-2-4-7-19/h2-4,6-7,20H,5,8-18H2,1H3.
What are the key properties of 8-(1-benzylpiperidin-4-yl)-1-methyl-1,8-diazaspiro[4.5]decane?
8-(1-benzylpiperidin-4-yl)-1-methyl-1,8-diazaspiro[4.5]decane has a molecular weight of 327.52 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-benzylpiperidin-4-yl)-1-methyl-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 145314400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).