(3R)-3,6-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane

C14H27N3 — CID 167399026

IUPAC(3R)-3,6-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
SMILESC[C@H]1N(CC2CCN(C)CC2)CC12CN(C)C2
InChIInChI=1S/C14H27N3/c1-12-14(9-16(3)10-14)11-17(12)8-13-4-6-15(2)7-5-13/h12-13H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyHFJPMSSXQFLXCR-GFCCVEGCSA-N
MW237.39 g/mol
LogP0.96
Rot. Bonds2

About (3R)-3,6-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane

(3R)-3,6-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane (PubChem CID 167399026) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is (3R)-3,6-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name(3R)-3,6-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
PubChem CID167399026
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name(3R)-3,6-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
SMILESC[C@H]1N(CC2CCN(C)CC2)CC12CN(C)C2
InChIInChI=1S/C14H27N3/c1-12-14(9-16(3)10-14)11-17(12)8-13-4-6-15(2)7-5-13/h12-13H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyHFJPMSSXQFLXCR-GFCCVEGCSA-N
XLogP0.96
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane
CID 153486130
6-methyl-2-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 156719594
1-ethyl-2,5-dimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 165137727
1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 155218428
2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane
CID 170629635
ethane;6-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.4]octane
CID 171641866
(5R)-2,5-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine;ethane
CID 170629504
2-methyl-7-[(1-methylpiperidin-4-yl)methyl]-7-azaspiro[3.5]nonane
CID 167091118
1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 169319865
2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine
CID 64931690
2,3a-dimethyl-5-[(1-methylpiperidin-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 167009734
7,7-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-1,2,5-thiadiazepane 1,1-dioxide
CID 115101136

Frequently Asked Questions

What is the IUPAC name of (3R)-3,6-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The IUPAC name of (3R)-3,6-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane (CID 167399026) is (3R)-3,6-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for (3R)-3,6-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for (3R)-3,6-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane is C[C@H]1N(CC2CCN(C)CC2)CC12CN(C)C2.
What is the InChIKey of (3R)-3,6-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The InChIKey is HFJPMSSXQFLXCR-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H27N3/c1-12-14(9-16(3)10-14)11-17(12)8-13-4-6-15(2)7-5-13/h12-13H,4-11H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-3,6-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane?
(3R)-3,6-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane has a molecular weight of 237.39 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,6-dimethyl-2-[(1-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 167399026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).