4-[(2-methoxyphenyl)methoxy]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride

C19H31ClN2O2 — CID 120851446

IUPAC4-[(2-methoxyphenyl)methoxy]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
SMILESCOc1ccccc1COC1CCN(CC2CCCNC2)CC1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-22-19-7-3-2-6-17(19)15-23-18-8-11-21(12-9-18)14-16-5-4-10-20-13-16;/h2-3,6-7,16,18,20H,4-5,8-15H2,1H3;1H
InChIKeyPFNKBVUKBHCVAD-UHFFFAOYSA-N
MW354.92 g/mol
LogP3.10
Rot. Bonds6

About 4-[(2-methoxyphenyl)methoxy]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride

4-[(2-methoxyphenyl)methoxy]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride (PubChem CID 120851446) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methoxy]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methoxy]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
PubChem CID120851446
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC Name4-[(2-methoxyphenyl)methoxy]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
SMILESCOc1ccccc1COC1CCN(CC2CCCNC2)CC1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-22-19-7-3-2-6-17(19)15-23-18-8-11-21(12-9-18)14-16-5-4-10-20-13-16;/h2-3,6-7,16,18,20H,4-5,8-15H2,1H3;1H
InChIKeyPFNKBVUKBHCVAD-UHFFFAOYSA-N
XLogP3.10
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenylmethoxy-1-[[(3R)-piperidin-3-yl]methyl]piperidine
CID 95895392
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
6-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 120849067
4-(3-methoxyphenyl)-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 119931163
2-methoxy-6-(piperidin-3-ylmethyl)phenol
CID 117316206
3-[[3-(2-chlorophenoxy)azetidin-1-yl]methyl]piperidine
CID 56898536
1-[2-(2-chlorophenoxy)ethyl]-4-(piperidin-3-ylmethyl)piperazine
CID 120847588
3-[(2-methoxyphenyl)methoxymethyl]pyrrolidine
CID 53414657
N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine
CID 62357207
2-[[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methyl]-5-methylpyrazine
CID 146124952
7-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 120847784
2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methoxy]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride?
The IUPAC name of 4-[(2-methoxyphenyl)methoxy]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride (CID 120851446) is 4-[(2-methoxyphenyl)methoxy]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-[(2-methoxyphenyl)methoxy]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride?
The canonical SMILES for 4-[(2-methoxyphenyl)methoxy]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride is COc1ccccc1COC1CCN(CC2CCCNC2)CC1.Cl.
What is the InChIKey of 4-[(2-methoxyphenyl)methoxy]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride?
The InChIKey is PFNKBVUKBHCVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-22-19-7-3-2-6-17(19)15-23-18-8-11-21(12-9-18)14-16-5-4-10-20-13-16;/h2-3,6-7,16,18,20H,4-5,8-15H2,1H3;1H.
What are the key properties of 4-[(2-methoxyphenyl)methoxy]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride?
4-[(2-methoxyphenyl)methoxy]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methoxy]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride is sourced from PubChem (CID 120851446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).