(3S)-3-(butoxymethyl)piperidine;ethane

C12H27NO — CID 142300188

IUPAC(3S)-3-(butoxymethyl)piperidine;ethane
SMILESCC.CCCCOC[C@H]1CCCNC1
InChIInChI=1S/C10H21NO.C2H6/c1-2-3-7-12-9-10-5-4-6-11-8-10;1-2/h10-11H,2-9H2,1H3;1-2H3/t10-;/m0./s1
InChIKeyXRYFHJRASMLHQY-PPHPATTJSA-N
MW201.35 g/mol
LogP2.83
Rot. Bonds5

About (3S)-3-(butoxymethyl)piperidine;ethane

(3S)-3-(butoxymethyl)piperidine;ethane (PubChem CID 142300188) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is (3S)-3-(butoxymethyl)piperidine;ethane.

Molecular Properties

Compound Name(3S)-3-(butoxymethyl)piperidine;ethane
PubChem CID142300188
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name(3S)-3-(butoxymethyl)piperidine;ethane
SMILESCC.CCCCOC[C@H]1CCCNC1
InChIInChI=1S/C10H21NO.C2H6/c1-2-3-7-12-9-10-5-4-6-11-8-10;1-2/h10-11H,2-9H2,1H3;1-2H3/t10-;/m0./s1
InChIKeyXRYFHJRASMLHQY-PPHPATTJSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl(oxan-3-ylmethyl)amine
CID 12700139
3-(Methoxymethyl)piperidine hydrochloride
CID 17178052
3-(Methoxymethyl)piperidine
CID 17178053
4-(3-Methoxypropyl)piperidine
CID 28063684
2-(3-(Methoxymethyl)piperidin-1-yl)ethan-1-amine
CID 66564433
4-(2-Methoxyethyl)piperidine
CID 15172754
4-(2-Methoxy-1,1-dimethylethyl)piperidine
CID 13478151
4-(Ethoxymethyl)piperidine
CID 17233802
Methyl(2-(oxan-4-yl)ethyl)amine
CID 20719713
N-Methyl-2-(tetrahydro-2H-pyran-4-yl)ethanamine hydrochloride
CID 50944152
4-(2-(2-(2-Methoxyethoxy)ethoxy)ethyl)piperidine
CID 56829888
3-((Tert-butoxy)methyl)piperidine hydrochloride
CID 118163283

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(butoxymethyl)piperidine;ethane?
The IUPAC name of (3S)-3-(butoxymethyl)piperidine;ethane (CID 142300188) is (3S)-3-(butoxymethyl)piperidine;ethane.
What is the SMILES notation for (3S)-3-(butoxymethyl)piperidine;ethane?
The canonical SMILES for (3S)-3-(butoxymethyl)piperidine;ethane is CC.CCCCOC[C@H]1CCCNC1.
What is the InChIKey of (3S)-3-(butoxymethyl)piperidine;ethane?
The InChIKey is XRYFHJRASMLHQY-PPHPATTJSA-N. The full InChI is InChI=1S/C10H21NO.C2H6/c1-2-3-7-12-9-10-5-4-6-11-8-10;1-2/h10-11H,2-9H2,1H3;1-2H3/t10-;/m0./s1.
What are the key properties of (3S)-3-(butoxymethyl)piperidine;ethane?
(3S)-3-(butoxymethyl)piperidine;ethane has a molecular weight of 201.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(butoxymethyl)piperidine;ethane is sourced from PubChem (CID 142300188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).