4-[2-[(3S)-3-methylcyclobuten-1-yl]oxyethyl]piperidine

C12H21NO — CID 163813929

IUPAC4-[2-[(3S)-3-methylcyclobuten-1-yl]oxyethyl]piperidine
SMILESC[C@@H]1C=C(OCCC2CCNCC2)C1
InChIInChI=1S/C12H21NO/c1-10-8-12(9-10)14-7-4-11-2-5-13-6-3-11/h8,10-11,13H,2-7,9H2,1H3/t10-/m1/s1
InChIKeyNPRQDTMNNAXYTQ-SNVBAGLBSA-N
MW195.31 g/mol
LogP2.32
Rot. Bonds4

About 4-[2-[(3S)-3-methylcyclobuten-1-yl]oxyethyl]piperidine

4-[2-[(3S)-3-methylcyclobuten-1-yl]oxyethyl]piperidine (PubChem CID 163813929) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-[2-[(3S)-3-methylcyclobuten-1-yl]oxyethyl]piperidine.

Molecular Properties

Compound Name4-[2-[(3S)-3-methylcyclobuten-1-yl]oxyethyl]piperidine
PubChem CID163813929
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-[2-[(3S)-3-methylcyclobuten-1-yl]oxyethyl]piperidine
SMILESC[C@@H]1C=C(OCCC2CCNCC2)C1
InChIInChI=1S/C12H21NO/c1-10-8-12(9-10)14-7-4-11-2-5-13-6-3-11/h8,10-11,13H,2-7,9H2,1H3/t10-/m1/s1
InChIKeyNPRQDTMNNAXYTQ-SNVBAGLBSA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3S)-3-methylcyclobuten-1-yl]oxyethyl]piperidine?
The IUPAC name of 4-[2-[(3S)-3-methylcyclobuten-1-yl]oxyethyl]piperidine (CID 163813929) is 4-[2-[(3S)-3-methylcyclobuten-1-yl]oxyethyl]piperidine.
What is the SMILES notation for 4-[2-[(3S)-3-methylcyclobuten-1-yl]oxyethyl]piperidine?
The canonical SMILES for 4-[2-[(3S)-3-methylcyclobuten-1-yl]oxyethyl]piperidine is C[C@@H]1C=C(OCCC2CCNCC2)C1.
What is the InChIKey of 4-[2-[(3S)-3-methylcyclobuten-1-yl]oxyethyl]piperidine?
The InChIKey is NPRQDTMNNAXYTQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21NO/c1-10-8-12(9-10)14-7-4-11-2-5-13-6-3-11/h8,10-11,13H,2-7,9H2,1H3/t10-/m1/s1.
What are the key properties of 4-[2-[(3S)-3-methylcyclobuten-1-yl]oxyethyl]piperidine?
4-[2-[(3S)-3-methylcyclobuten-1-yl]oxyethyl]piperidine has a molecular weight of 195.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3S)-3-methylcyclobuten-1-yl]oxyethyl]piperidine is sourced from PubChem (CID 163813929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).