(3S)-3-(butoxymethyl)piperidine

C10H21NO — CID 26190559

IUPAC(3S)-3-(butoxymethyl)piperidine
SMILESCCCCOC[C@H]1CCCNC1
InChIInChI=1S/C10H21NO/c1-2-3-7-12-9-10-5-4-6-11-8-10/h10-11H,2-9H2,1H3/t10-/m0/s1
InChIKeyPKMNIDQNQIPJGB-JTQLQIEISA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds5

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

(3S)-3-(butoxymethyl)piperidine (PubChem CID 26190559) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (3S)-3-(butoxymethyl)piperidine.

Molecular Properties

Compound Name(3S)-3-(butoxymethyl)piperidine
PubChem CID26190559
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(3S)-3-(butoxymethyl)piperidine
SMILESCCCCOC[C@H]1CCCNC1
InChIInChI=1S/C10H21NO/c1-2-3-7-12-9-10-5-4-6-11-8-10/h10-11H,2-9H2,1H3/t10-/m0/s1
InChIKeyPKMNIDQNQIPJGB-JTQLQIEISA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
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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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(butoxymethyl)piperidine?
The IUPAC name of (3S)-3-(butoxymethyl)piperidine (CID 26190559) is (3S)-3-(butoxymethyl)piperidine.
What is the SMILES notation for (3S)-3-(butoxymethyl)piperidine?
The canonical SMILES for (3S)-3-(butoxymethyl)piperidine is CCCCOC[C@H]1CCCNC1.
What is the InChIKey of (3S)-3-(butoxymethyl)piperidine?
The InChIKey is PKMNIDQNQIPJGB-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21NO/c1-2-3-7-12-9-10-5-4-6-11-8-10/h10-11H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-3-(butoxymethyl)piperidine?
(3S)-3-(butoxymethyl)piperidine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 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 is sourced from PubChem (CID 26190559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).