(3S)-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine

C14H27NO2 — CID 170926000

IUPAC(3S)-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
SMILESCO[C@H]1CCCN(CC2(COC(C)C)CC2)C1
InChIInChI=1S/C14H27NO2/c1-12(2)17-11-14(6-7-14)10-15-8-4-5-13(9-15)16-3/h12-13H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyPUDFNMKLCYTXPG-ZDUSSCGKSA-N
MW241.37 g/mol
LogP2.30
Rot. Bonds6

About (3S)-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine

(3S)-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine (PubChem CID 170926000) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (3S)-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
PubChem CID170926000
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(3S)-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
SMILESCO[C@H]1CCCN(CC2(COC(C)C)CC2)C1
InChIInChI=1S/C14H27NO2/c1-12(2)17-11-14(6-7-14)10-15-8-4-5-13(9-15)16-3/h12-13H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyPUDFNMKLCYTXPG-ZDUSSCGKSA-N
XLogP2.30
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine
CID 170926263
N-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 102967390
(3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxy)pyrrolidine
CID 170343536
(3R)-3-methyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 175612155
(3S,4R)-4-fluoro-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 170926336
2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid
CID 102968613
(3S,5R)-5-methoxy-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine
CID 170926110
2-(methoxymethyl)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 176926874
4-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]morpholine
CID 84592709
2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 102958559
4-tert-butyl-3,3-difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]azepane
CID 169289987
4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine
CID 177010231

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
The IUPAC name of (3S)-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine (CID 170926000) is (3S)-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine.
What is the SMILES notation for (3S)-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
The canonical SMILES for (3S)-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine is CO[C@H]1CCCN(CC2(COC(C)C)CC2)C1.
What is the InChIKey of (3S)-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
The InChIKey is PUDFNMKLCYTXPG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12(2)17-11-14(6-7-14)10-15-8-4-5-13(9-15)16-3/h12-13H,4-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (3S)-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine?
(3S)-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine has a molecular weight of 241.37 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine is sourced from PubChem (CID 170926000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).