ethane;1-methoxy-3-methylcyclopentane;1,3,6-trimethylpiperidin-3-ol

C21H49NO2 — CID 172576232

IUPACethane;1-methoxy-3-methylcyclopentane;1,3,6-trimethylpiperidin-3-ol
SMILESCC.CC.CC.CC1CCC(C)(O)CN1C.COC1CCC(C)C1
InChIInChI=1S/C8H17NO.C7H14O.3C2H6/c1-7-4-5-8(2,10)6-9(7)3;1-6-3-4-7(5-6)8-2;3*1-2/h7,10H,4-6H2,1-3H3;6-7H,3-5H2,1-2H3;3*1-2H3
InChIKeyDSPBNSBGGWHCBR-UHFFFAOYSA-N
MW347.63 g/mol
LogP5.75
Rot. Bonds1

About ethane;1-methoxy-3-methylcyclopentane;1,3,6-trimethylpiperidin-3-ol

ethane;1-methoxy-3-methylcyclopentane;1,3,6-trimethylpiperidin-3-ol (PubChem CID 172576232) has the molecular formula C21H49NO2 and a molecular weight of 347.63 g/mol. Its IUPAC name is ethane;1-methoxy-3-methylcyclopentane;1,3,6-trimethylpiperidin-3-ol.

Molecular Properties

Compound Nameethane;1-methoxy-3-methylcyclopentane;1,3,6-trimethylpiperidin-3-ol
PubChem CID172576232
Molecular FormulaC21H49NO2
Molecular Weight347.63 g/mol
Exact Mass347.38
IUPAC Nameethane;1-methoxy-3-methylcyclopentane;1,3,6-trimethylpiperidin-3-ol
SMILESCC.CC.CC.CC1CCC(C)(O)CN1C.COC1CCC(C)C1
InChIInChI=1S/C8H17NO.C7H14O.3C2H6/c1-7-4-5-8(2,10)6-9(7)3;1-6-3-4-7(5-6)8-2;3*1-2/h7,10H,4-6H2,1-3H3;6-7H,3-5H2,1-2H3;3*1-2H3
InChIKeyDSPBNSBGGWHCBR-UHFFFAOYSA-N
XLogP5.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.63
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propane;trans-(1S,3S)-1-methoxy-3-methylcyclopentane
CID 144913031
ethane;N-methylacetamide;trans-(1S,3S)-1-methoxy-3-methylcyclopentane
CID 177059822
cis-(1S,3R)-1,3-dimethoxycyclopentane
CID 22214084
methyl 1-hydroxy-2,4-dimethylcyclohexane-1-carboxylate
CID 64756046
4-methoxy-1,2,6-trimethylpiperidine
CID 59421649
trans-(1S,3S)-3-methoxycyclopentan-1-ol
CID 97049174
3-methoxy-1,5-dimethylpiperidine
CID 91354992
(2S,4R)-4-methoxy-1-methylpyrrolidin-2-ol
CID 89090789
chloromethyl (3-methylcyclopentyl) carbonate
CID 66562167
2-methoxy-1,1,4-trimethylcyclohexane
CID 70179049
(2R,4R)-1-chloro-4-methoxy-2-methylpiperidine
CID 118569724
(1R,2R,4S)-4-methoxy-2-methylcyclohexane-1-carboxylic acid
CID 125470813

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-3-methylcyclopentane;1,3,6-trimethylpiperidin-3-ol?
The IUPAC name of ethane;1-methoxy-3-methylcyclopentane;1,3,6-trimethylpiperidin-3-ol (CID 172576232) is ethane;1-methoxy-3-methylcyclopentane;1,3,6-trimethylpiperidin-3-ol.
What is the SMILES notation for ethane;1-methoxy-3-methylcyclopentane;1,3,6-trimethylpiperidin-3-ol?
The canonical SMILES for ethane;1-methoxy-3-methylcyclopentane;1,3,6-trimethylpiperidin-3-ol is CC.CC.CC.CC1CCC(C)(O)CN1C.COC1CCC(C)C1.
What is the InChIKey of ethane;1-methoxy-3-methylcyclopentane;1,3,6-trimethylpiperidin-3-ol?
The InChIKey is DSPBNSBGGWHCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C7H14O.3C2H6/c1-7-4-5-8(2,10)6-9(7)3;1-6-3-4-7(5-6)8-2;3*1-2/h7,10H,4-6H2,1-3H3;6-7H,3-5H2,1-2H3;3*1-2H3.
What are the key properties of ethane;1-methoxy-3-methylcyclopentane;1,3,6-trimethylpiperidin-3-ol?
ethane;1-methoxy-3-methylcyclopentane;1,3,6-trimethylpiperidin-3-ol has a molecular weight of 347.63 g/mol, XLogP of 5.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-3-methylcyclopentane;1,3,6-trimethylpiperidin-3-ol is sourced from PubChem (CID 172576232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).