4-(methoxymethyl)-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine

C17H25NO — CID 29154047

IUPAC4-(methoxymethyl)-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine
SMILESCOCC1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C17H25NO/c1-19-13-14-7-9-18(10-8-14)12-16-11-17(16)15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3/t16-,17-/m0/s1
InChIKeyANGINWJJKGYKAR-IRXDYDNUSA-N
MW259.39 g/mol
LogP3.15
Rot. Bonds5

About 4-(methoxymethyl)-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine

4-(methoxymethyl)-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine (PubChem CID 29154047) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine.

Molecular Properties

Compound Name4-(methoxymethyl)-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine
PubChem CID29154047
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-(methoxymethyl)-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine
SMILESCOCC1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C17H25NO/c1-19-13-14-7-9-18(10-8-14)12-16-11-17(16)15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3/t16-,17-/m0/s1
InChIKeyANGINWJJKGYKAR-IRXDYDNUSA-N
XLogP3.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyethyl)-4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine
CID 149331751
1-(2-methoxyphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
CID 10829708
1-benzyl-4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine
CID 173472767
N-benzhydryl-2-[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]acetamide
CID 10478310
N-[[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]methyl]-1H-pyrazole-4-carboxamide
CID 58933801
2-[4-(methoxymethyl)piperidin-1-yl]-1-phenylethanamine
CID 63973658
2-methyl-2-[4-[(2-phenylcyclopropyl)methyl]piperazin-1-yl]propan-1-ol
CID 154859097
1-(2-chlorophenyl)-4-[(2-phenylcyclopropyl)methyl]piperazine;hydrobromide
CID 18613652
4-(methoxymethyl)-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 121451427
4-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65262476
1-(benzenesulfonyl)-4-(methoxymethyl)piperidine
CID 63999066
4-phenyl-1-[(2-phenylcyclopentyl)methyl]piperidine
CID 70259114

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine?
The IUPAC name of 4-(methoxymethyl)-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine (CID 29154047) is 4-(methoxymethyl)-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine.
What is the SMILES notation for 4-(methoxymethyl)-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine?
The canonical SMILES for 4-(methoxymethyl)-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine is COCC1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of 4-(methoxymethyl)-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine?
The InChIKey is ANGINWJJKGYKAR-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H25NO/c1-19-13-14-7-9-18(10-8-14)12-16-11-17(16)15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3/t16-,17-/m0/s1.
What are the key properties of 4-(methoxymethyl)-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine?
4-(methoxymethyl)-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine has a molecular weight of 259.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidine is sourced from PubChem (CID 29154047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).