1-(2-methoxyphenyl)-N-[(4-phenylpiperidin-1-ium-4-yl)methyl]methanamine chloride

C20H27ClN2O — CID 10617613

IUPAC1-(2-methoxyphenyl)-N-[(4-phenylpiperidin-1-ium-4-yl)methyl]methanamine chloride
SMILESCOc1ccccc1CNCC1(c2ccccc2)CC[NH2+]CC1.[Cl-]
InChIInChI=1S/C20H26N2O.ClH/c1-23-19-10-6-5-7-17(19)15-22-16-20(11-13-21-14-12-20)18-8-3-2-4-9-18;/h2-10,21-22H,11-16H2,1H3;1H
InChIKeyMACBYRJJRLVMOF-UHFFFAOYSA-N
MW346.90 g/mol
LogP-0.92
Rot. Bonds6

About 1-(2-methoxyphenyl)-N-[(4-phenylpiperidin-1-ium-4-yl)methyl]methanamine chloride

1-(2-methoxyphenyl)-N-[(4-phenylpiperidin-1-ium-4-yl)methyl]methanamine chloride (PubChem CID 10617613) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[(4-phenylpiperidin-1-ium-4-yl)methyl]methanamine chloride.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[(4-phenylpiperidin-1-ium-4-yl)methyl]methanamine chloride
PubChem CID10617613
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name1-(2-methoxyphenyl)-N-[(4-phenylpiperidin-1-ium-4-yl)methyl]methanamine chloride
SMILESCOc1ccccc1CNCC1(c2ccccc2)CC[NH2+]CC1.[Cl-]
InChIInChI=1S/C20H26N2O.ClH/c1-23-19-10-6-5-7-17(19)15-22-16-20(11-13-21-14-12-20)18-8-3-2-4-9-18;/h2-10,21-22H,11-16H2,1H3;1H
InChIKeyMACBYRJJRLVMOF-UHFFFAOYSA-N
XLogP-0.92
TPSA37.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[(2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358929
N-[(2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine
CID 115635134
N-(methoxymethyl)-1-(1-phenylcyclopropyl)methanamine
CID 134421759
1-(2-methoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528627
N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-yn-1-amine
CID 62340509
2-[[(2-methoxyphenyl)methylamino]methyl]-2-methylcyclohexan-1-ol
CID 111696243
N-[(2-methoxyphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 4644139
N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine
CID 14914753
1-[[4-(4-bromophenyl)oxan-4-yl]methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111216507
1-[(2-methoxyphenyl)methyl]-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 111217680
N-[(2-methoxyphenyl)methyl]prop-2-en-1-amine
CID 4722320
3-N-[(2-methoxyphenyl)methyl]propane-1,2,3-triamine
CID 115119767

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[(4-phenylpiperidin-1-ium-4-yl)methyl]methanamine chloride?
The IUPAC name of 1-(2-methoxyphenyl)-N-[(4-phenylpiperidin-1-ium-4-yl)methyl]methanamine chloride (CID 10617613) is 1-(2-methoxyphenyl)-N-[(4-phenylpiperidin-1-ium-4-yl)methyl]methanamine chloride.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[(4-phenylpiperidin-1-ium-4-yl)methyl]methanamine chloride?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[(4-phenylpiperidin-1-ium-4-yl)methyl]methanamine chloride is COc1ccccc1CNCC1(c2ccccc2)CC[NH2+]CC1.[Cl-].
What is the InChIKey of 1-(2-methoxyphenyl)-N-[(4-phenylpiperidin-1-ium-4-yl)methyl]methanamine chloride?
The InChIKey is MACBYRJJRLVMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.ClH/c1-23-19-10-6-5-7-17(19)15-22-16-20(11-13-21-14-12-20)18-8-3-2-4-9-18;/h2-10,21-22H,11-16H2,1H3;1H.
What are the key properties of 1-(2-methoxyphenyl)-N-[(4-phenylpiperidin-1-ium-4-yl)methyl]methanamine chloride?
1-(2-methoxyphenyl)-N-[(4-phenylpiperidin-1-ium-4-yl)methyl]methanamine chloride has a molecular weight of 346.90 g/mol, XLogP of -0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[(4-phenylpiperidin-1-ium-4-yl)methyl]methanamine chloride is sourced from PubChem (CID 10617613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).