1-methyl-2-pentoxypiperidine

C11H23NO — CID 174740855

IUPAC1-methyl-2-pentoxypiperidine
SMILESCCCCCOC1CCCCN1C
InChIInChI=1S/C11H23NO/c1-3-4-7-10-13-11-8-5-6-9-12(11)2/h11H,3-10H2,1-2H3
InChIKeyQNINNPGWTAPQLL-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.63
Rot. Bonds5

About 1-methyl-2-pentoxypiperidine

1-methyl-2-pentoxypiperidine (PubChem CID 174740855) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-methyl-2-pentoxypiperidine.

Molecular Properties

Compound Name1-methyl-2-pentoxypiperidine
PubChem CID174740855
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-methyl-2-pentoxypiperidine
SMILESCCCCCOC1CCCCN1C
InChIInChI=1S/C11H23NO/c1-3-4-7-10-13-11-8-5-6-9-12(11)2/h11H,3-10H2,1-2H3
InChIKeyQNINNPGWTAPQLL-UHFFFAOYSA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

pentadecoxycyclopentane
CID 155570194
octoxycyclopentane
CID 14691467
2-methoxy-1-methylpiperidine
CID 23222665
(1-methylpyrrolidin-2-yl) butane-1-sulfonate
CID 178069551
2-octoxycyclohexan-1-amine
CID 43127889
heptoxycyclopropane
CID 54099544
2-hexoxycyclododecan-1-amine
CID 43127854
1,2-dibutoxycyclohexane
CID 24962665
N-decyl-1-methylpiperidin-2-amine
CID 151113858
3-pentoxy-1-pentylpyrrolidine
CID 67812349
1-ethoxy-4-hexoxycyclohexane
CID 147022477
cyclohexane;octan-1-ol;octoxycyclohexane
CID 157453756

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-pentoxypiperidine?
The IUPAC name of 1-methyl-2-pentoxypiperidine (CID 174740855) is 1-methyl-2-pentoxypiperidine.
What is the SMILES notation for 1-methyl-2-pentoxypiperidine?
The canonical SMILES for 1-methyl-2-pentoxypiperidine is CCCCCOC1CCCCN1C.
What is the InChIKey of 1-methyl-2-pentoxypiperidine?
The InChIKey is QNINNPGWTAPQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-4-7-10-13-11-8-5-6-9-12(11)2/h11H,3-10H2,1-2H3.
What are the key properties of 1-methyl-2-pentoxypiperidine?
1-methyl-2-pentoxypiperidine has a molecular weight of 185.31 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-pentoxypiperidine is sourced from PubChem (CID 174740855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).