[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone

C14H26N2O — CID 104967123

IUPAC[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)N2[C@H](C)CCC[C@@H]2C)C1
InChIInChI=1S/C14H26N2O/c1-11-6-5-9-15(10-11)14(17)16-12(2)7-4-8-13(16)3/h11-13H,4-10H2,1-3H3/t11?,12-,13+
InChIKeyMPVFLOFNDBXHTN-YHWZYXNKSA-N
MW238.37 g/mol
LogP3.10
Rot. Bonds

About [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone

[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 104967123) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID104967123
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)N2[C@H](C)CCC[C@@H]2C)C1
InChIInChI=1S/C14H26N2O/c1-11-6-5-9-15(10-11)14(17)16-12(2)7-4-8-13(16)3/h11-13H,4-10H2,1-3H3/t11?,12-,13+
InChIKeyMPVFLOFNDBXHTN-YHWZYXNKSA-N
XLogP3.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-methylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 116653733
1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 108988685
3-methylpiperidine-1-carboxylic acid
CID 22047728
(2,4-dimethylpiperidin-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 116655527
ethane;1-(3-methylpiperidin-1-yl)ethanone
CID 91356589
ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 176561282
azetidin-1-yl-(3-methylpyrrolidin-1-yl)methanone
CID 166738845
3-methylpiperidine-1-carboxamide
CID 16786142
[(3S)-3-methylpiperazin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 104976373
methane;1-(3-methylpiperidin-1-yl)prop-2-en-1-one
CID 145271377
(2,5-dimethylmorpholin-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 116654294
[4-(ethylamino)piperidin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 79152580

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone (CID 104967123) is [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)N2[C@H](C)CCC[C@@H]2C)C1.
What is the InChIKey of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is MPVFLOFNDBXHTN-YHWZYXNKSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11-6-5-9-15(10-11)14(17)16-12(2)7-4-8-13(16)3/h11-13H,4-10H2,1-3H3/t11?,12-,13+.
What are the key properties of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone?
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 238.37 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 104967123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).