1-methyl-2-[2-[(3S)-piperidin-3-yl]oxyethyl]piperidine

C13H26N2O — CID 107912978

IUPAC1-methyl-2-[2-[(3S)-piperidin-3-yl]oxyethyl]piperidine
SMILESCN1CCCCC1CCO[C@H]1CCCNC1
InChIInChI=1S/C13H26N2O/c1-15-9-3-2-5-12(15)7-10-16-13-6-4-8-14-11-13/h12-14H,2-11H2,1H3/t12?,13-/m0/s1
InChIKeyUKUUFZQXRUSHJR-ABLWVSNPSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds4

About 1-methyl-2-[2-[(3S)-piperidin-3-yl]oxyethyl]piperidine

1-methyl-2-[2-[(3S)-piperidin-3-yl]oxyethyl]piperidine (PubChem CID 107912978) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-methyl-2-[2-[(3S)-piperidin-3-yl]oxyethyl]piperidine.

Molecular Properties

Compound Name1-methyl-2-[2-[(3S)-piperidin-3-yl]oxyethyl]piperidine
PubChem CID107912978
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-methyl-2-[2-[(3S)-piperidin-3-yl]oxyethyl]piperidine
SMILESCN1CCCCC1CCO[C@H]1CCCNC1
InChIInChI=1S/C13H26N2O/c1-15-9-3-2-5-12(15)7-10-16-13-6-4-8-14-11-13/h12-14H,2-11H2,1H3/t12?,13-/m0/s1
InChIKeyUKUUFZQXRUSHJR-ABLWVSNPSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyclopentyloxyethyl)-1-methylpiperidine
CID 23339262
N-[4-[2-(1-methylpiperidin-2-yl)ethoxy]cyclohexylidene]hydroxylamine
CID 107912587
3-[(1-methylpyrrolidin-2-yl)methyl]piperidine
CID 82601495
2-piperidin-3-yloxyethanol
CID 43197065
(3S)-3-(2-fluoroethoxy)piperidine
CID 80695434
2-methyl-4-piperidin-3-yloxybutan-2-ol
CID 79355379
(3R)-3-(2-cyclohexylethoxy)pyrrolidine
CID 26191806
3-(2-butoxyethoxy)piperidine
CID 55151121
1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2-carbonitrile
CID 79085851
1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510
(1S,7R)-2-methyl-2,11-diazabicyclo[5.5.0]dodecane
CID 96627763
3-prop-2-ynoxypiperidine
CID 45075367

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-[(3S)-piperidin-3-yl]oxyethyl]piperidine?
The IUPAC name of 1-methyl-2-[2-[(3S)-piperidin-3-yl]oxyethyl]piperidine (CID 107912978) is 1-methyl-2-[2-[(3S)-piperidin-3-yl]oxyethyl]piperidine.
What is the SMILES notation for 1-methyl-2-[2-[(3S)-piperidin-3-yl]oxyethyl]piperidine?
The canonical SMILES for 1-methyl-2-[2-[(3S)-piperidin-3-yl]oxyethyl]piperidine is CN1CCCCC1CCO[C@H]1CCCNC1.
What is the InChIKey of 1-methyl-2-[2-[(3S)-piperidin-3-yl]oxyethyl]piperidine?
The InChIKey is UKUUFZQXRUSHJR-ABLWVSNPSA-N. The full InChI is InChI=1S/C13H26N2O/c1-15-9-3-2-5-12(15)7-10-16-13-6-4-8-14-11-13/h12-14H,2-11H2,1H3/t12?,13-/m0/s1.
What are the key properties of 1-methyl-2-[2-[(3S)-piperidin-3-yl]oxyethyl]piperidine?
1-methyl-2-[2-[(3S)-piperidin-3-yl]oxyethyl]piperidine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-[(3S)-piperidin-3-yl]oxyethyl]piperidine is sourced from PubChem (CID 107912978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).