(3R)-3-[[(1S)-1-cyclopropylethoxy]methyl]piperidine

C11H21NO — CID 99980954

IUPAC(3R)-3-[[(1S)-1-cyclopropylethoxy]methyl]piperidine
SMILESC[C@H](OC[C@@H]1CCCNC1)C1CC1
InChIInChI=1S/C11H21NO/c1-9(11-4-5-11)13-8-10-3-2-6-12-7-10/h9-12H,2-8H2,1H3/t9-,10+/m0/s1
InChIKeyGKLKZSPTIHOCEI-VHSXEESVSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds4

About (3R)-3-[[(1S)-1-cyclopropylethoxy]methyl]piperidine

(3R)-3-[[(1S)-1-cyclopropylethoxy]methyl]piperidine (PubChem CID 99980954) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (3R)-3-[[(1S)-1-cyclopropylethoxy]methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[[(1S)-1-cyclopropylethoxy]methyl]piperidine
PubChem CID99980954
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(3R)-3-[[(1S)-1-cyclopropylethoxy]methyl]piperidine
SMILESC[C@H](OC[C@@H]1CCCNC1)C1CC1
InChIInChI=1S/C11H21NO/c1-9(11-4-5-11)13-8-10-3-2-6-12-7-10/h9-12H,2-8H2,1H3/t9-,10+/m0/s1
InChIKeyGKLKZSPTIHOCEI-VHSXEESVSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 26190551
1-(piperidin-3-ylmethoxy)propan-2-ol
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(3R)-3-(ethoxymethyl)piperidine
CID 42427178
(3S)-3-(ethoxymethyl)piperidine
CID 42427180
3-(ethoxymethyl)piperidine;hydrochloride
CID 17178071
(3R)-3-(1-fluoroethoxymethyl)pyrrolidine
CID 177026365
1-piperidin-3-yl-3-propan-2-yloxypropan-2-ol
CID 104680602
piperidin-3-ylmethyl 3-methylbutanoate
CID 56829531
3-(2-cyclobutylpropyl)piperidine
CID 130987572
3-(2-methylpentoxymethyl)piperidine
CID 62339734
ethyl 2-(piperidin-3-ylmethoxy)pentanoate
CID 83212553
3-(cyclopentyloxymethyl)piperidine
CID 24693389

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(1S)-1-cyclopropylethoxy]methyl]piperidine?
The IUPAC name of (3R)-3-[[(1S)-1-cyclopropylethoxy]methyl]piperidine (CID 99980954) is (3R)-3-[[(1S)-1-cyclopropylethoxy]methyl]piperidine.
What is the SMILES notation for (3R)-3-[[(1S)-1-cyclopropylethoxy]methyl]piperidine?
The canonical SMILES for (3R)-3-[[(1S)-1-cyclopropylethoxy]methyl]piperidine is C[C@H](OC[C@@H]1CCCNC1)C1CC1.
What is the InChIKey of (3R)-3-[[(1S)-1-cyclopropylethoxy]methyl]piperidine?
The InChIKey is GKLKZSPTIHOCEI-VHSXEESVSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(11-4-5-11)13-8-10-3-2-6-12-7-10/h9-12H,2-8H2,1H3/t9-,10+/m0/s1.
What are the key properties of (3R)-3-[[(1S)-1-cyclopropylethoxy]methyl]piperidine?
(3R)-3-[[(1S)-1-cyclopropylethoxy]methyl]piperidine has a molecular weight of 183.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(1S)-1-cyclopropylethoxy]methyl]piperidine is sourced from PubChem (CID 99980954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).