4-phenylmethoxy-1-[[(3R)-piperidin-3-yl]methyl]piperidine

C18H28N2O — CID 95895392

IUPAC4-phenylmethoxy-1-[[(3R)-piperidin-3-yl]methyl]piperidine
SMILESc1ccc(COC2CCN(C[C@@H]3CCCNC3)CC2)cc1
InChIInChI=1S/C18H28N2O/c1-2-5-16(6-3-1)15-21-18-8-11-20(12-9-18)14-17-7-4-10-19-13-17/h1-3,5-6,17-19H,4,7-15H2/t17-/m1/s1
InChIKeyMWOBFGQYQOXYLG-QGZVFWFLSA-N
MW288.43 g/mol
LogP2.67
Rot. Bonds5

About 4-phenylmethoxy-1-[[(3R)-piperidin-3-yl]methyl]piperidine

4-phenylmethoxy-1-[[(3R)-piperidin-3-yl]methyl]piperidine (PubChem CID 95895392) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 4-phenylmethoxy-1-[[(3R)-piperidin-3-yl]methyl]piperidine.

Molecular Properties

Compound Name4-phenylmethoxy-1-[[(3R)-piperidin-3-yl]methyl]piperidine
PubChem CID95895392
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name4-phenylmethoxy-1-[[(3R)-piperidin-3-yl]methyl]piperidine
SMILESc1ccc(COC2CCN(C[C@@H]3CCCNC3)CC2)cc1
InChIInChI=1S/C18H28N2O/c1-2-5-16(6-3-1)15-21-18-8-11-20(12-9-18)14-17-7-4-10-19-13-17/h1-3,5-6,17-19H,4,7-15H2/t17-/m1/s1
InChIKeyMWOBFGQYQOXYLG-QGZVFWFLSA-N
XLogP2.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methoxyphenyl)methoxy]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 120851446
3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine
CID 157039183
4-phenylmethoxyazepane
CID 63716383
1-benzyl-4-phenylmethoxypiperidine
CID 15892976
2-phenyl-1-[4-(piperidin-3-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 119930059
(2R,3R,4R,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-1-[[(3R)-piperidin-3-yl]methyl]piperidine
CID 155286796
1-benzyl-4-phenylmethoxypiperidine;hydrochloride
CID 18919828
2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557
1-methyl-2-[(4-phenylmethoxypiperidin-1-yl)methyl]piperidine
CID 91843602
1-benzyl-4-(pyrrolidin-3-ylmethyl)piperazine;dihydrochloride
CID 56831723
(3S)-3-(2-phenylmethoxyethyl)piperidine
CID 26192382
3-fluoro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]oxypyridine
CID 120849820

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-1-[[(3R)-piperidin-3-yl]methyl]piperidine?
The IUPAC name of 4-phenylmethoxy-1-[[(3R)-piperidin-3-yl]methyl]piperidine (CID 95895392) is 4-phenylmethoxy-1-[[(3R)-piperidin-3-yl]methyl]piperidine.
What is the SMILES notation for 4-phenylmethoxy-1-[[(3R)-piperidin-3-yl]methyl]piperidine?
The canonical SMILES for 4-phenylmethoxy-1-[[(3R)-piperidin-3-yl]methyl]piperidine is c1ccc(COC2CCN(C[C@@H]3CCCNC3)CC2)cc1.
What is the InChIKey of 4-phenylmethoxy-1-[[(3R)-piperidin-3-yl]methyl]piperidine?
The InChIKey is MWOBFGQYQOXYLG-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-5-16(6-3-1)15-21-18-8-11-20(12-9-18)14-17-7-4-10-19-13-17/h1-3,5-6,17-19H,4,7-15H2/t17-/m1/s1.
What are the key properties of 4-phenylmethoxy-1-[[(3R)-piperidin-3-yl]methyl]piperidine?
4-phenylmethoxy-1-[[(3R)-piperidin-3-yl]methyl]piperidine has a molecular weight of 288.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-1-[[(3R)-piperidin-3-yl]methyl]piperidine is sourced from PubChem (CID 95895392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).