(2S,6R)-2,6-dimethyl-1-propan-2-yl-4-propan-2-yloxypiperidine

C13H27NO — CID 154605097

IUPAC(2S,6R)-2,6-dimethyl-1-propan-2-yl-4-propan-2-yloxypiperidine
SMILESCC(C)OC1C[C@@H](C)N(C(C)C)[C@@H](C)C1
InChIInChI=1S/C13H27NO/c1-9(2)14-11(5)7-13(8-12(14)6)15-10(3)4/h9-13H,7-8H2,1-6H3/t11-,12+,13?
InChIKeyKRQBMQHQNSYOTE-FUNVUKJBSA-N
MW213.36 g/mol
LogP3.06
Rot. Bonds3

About (2S,6R)-2,6-dimethyl-1-propan-2-yl-4-propan-2-yloxypiperidine

(2S,6R)-2,6-dimethyl-1-propan-2-yl-4-propan-2-yloxypiperidine (PubChem CID 154605097) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-1-propan-2-yl-4-propan-2-yloxypiperidine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-1-propan-2-yl-4-propan-2-yloxypiperidine
PubChem CID154605097
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(2S,6R)-2,6-dimethyl-1-propan-2-yl-4-propan-2-yloxypiperidine
SMILESCC(C)OC1C[C@@H](C)N(C(C)C)[C@@H](C)C1
InChIInChI=1S/C13H27NO/c1-9(2)14-11(5)7-13(8-12(14)6)15-10(3)4/h9-13H,7-8H2,1-6H3/t11-,12+,13?
InChIKeyKRQBMQHQNSYOTE-FUNVUKJBSA-N
XLogP3.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

cis-(1S,3R)-1,3-dimethyl-5-propan-2-yloxycyclohexane
CID 130223743
1-propan-2-yl-4-(3-propan-2-yloxycyclobutyl)piperazine
CID 169289968
(2R,5R)-2,5-dimethyl-1-propan-2-ylpyrrolidine
CID 58977160
1-bromo-3-propan-2-yloxycyclobutane
CID 66344883
(2S,4S)-1-ethyl-2-methyl-4-propan-2-yloxypiperidine
CID 167001762
1-propan-2-yl-3-propan-2-yloxyazetidine
CID 59470900
(2R,6R)-2,6-dimethyl-1-propan-2-ylpiperidine
CID 130875650
1-(2-methylpropyl)-3-propan-2-yloxycyclobutane
CID 153444524
(3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine
CID 142353927
3-methyl-2-propan-2-yl-2-azabicyclo[3.2.2]nonane
CID 167181477
ethane;(2R)-2,4,6-trimethyl-1-propan-2-ylpiperazine
CID 171506336
1-methyl-2-propan-2-yloxycyclopropane
CID 56606917

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-1-propan-2-yl-4-propan-2-yloxypiperidine?
The IUPAC name of (2S,6R)-2,6-dimethyl-1-propan-2-yl-4-propan-2-yloxypiperidine (CID 154605097) is (2S,6R)-2,6-dimethyl-1-propan-2-yl-4-propan-2-yloxypiperidine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-1-propan-2-yl-4-propan-2-yloxypiperidine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-1-propan-2-yl-4-propan-2-yloxypiperidine is CC(C)OC1C[C@@H](C)N(C(C)C)[C@@H](C)C1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-1-propan-2-yl-4-propan-2-yloxypiperidine?
The InChIKey is KRQBMQHQNSYOTE-FUNVUKJBSA-N. The full InChI is InChI=1S/C13H27NO/c1-9(2)14-11(5)7-13(8-12(14)6)15-10(3)4/h9-13H,7-8H2,1-6H3/t11-,12+,13?.
What are the key properties of (2S,6R)-2,6-dimethyl-1-propan-2-yl-4-propan-2-yloxypiperidine?
(2S,6R)-2,6-dimethyl-1-propan-2-yl-4-propan-2-yloxypiperidine has a molecular weight of 213.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-1-propan-2-yl-4-propan-2-yloxypiperidine is sourced from PubChem (CID 154605097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).