1-(4-methoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine

C19H30N2O2 — CID 119129277

IUPAC1-(4-methoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
SMILESCOc1ccc(CNCC2(N3CCCCC3)CCOCC2)cc1
InChIInChI=1S/C19H30N2O2/c1-22-18-7-5-17(6-8-18)15-20-16-19(9-13-23-14-10-19)21-11-3-2-4-12-21/h5-8,20H,2-4,9-16H2,1H3
InChIKeyGSIVMUXYRFOETI-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.82
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine

1-(4-methoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine (PubChem CID 119129277) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
PubChem CID119129277
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-(4-methoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
SMILESCOc1ccc(CNCC2(N3CCCCC3)CCOCC2)cc1
InChIInChI=1S/C19H30N2O2/c1-22-18-7-5-17(6-8-18)15-20-16-19(9-13-23-14-10-19)21-11-3-2-4-12-21/h5-8,20H,2-4,9-16H2,1H3
InChIKeyGSIVMUXYRFOETI-UHFFFAOYSA-N
XLogP2.82
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)methyl]-2-methyl-3-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine
CID 111835665
1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129341
1-(4-methoxy-3-propoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129234
1-(4-ethoxy-3,5-dimethoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129181
1-(5-methylfuran-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129353
1-(5-methylthiophen-2-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129246
2-[4-[[(1-piperidin-1-ylcyclopentyl)methylamino]methyl]phenyl]ethanamine
CID 131905433
1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129275
1-(3,5-dimethoxyphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743600
N-[(4-piperidin-1-yloxan-4-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 119129298
N-[(4-piperidin-1-yloxan-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 119129214
1-(2-chloro-6-fluorophenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129346

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine (CID 119129277) is 1-(4-methoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine is COc1ccc(CNCC2(N3CCCCC3)CCOCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine?
The InChIKey is GSIVMUXYRFOETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-22-18-7-5-17(6-8-18)15-20-16-19(9-13-23-14-10-19)21-11-3-2-4-12-21/h5-8,20H,2-4,9-16H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine?
1-(4-methoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine has a molecular weight of 318.46 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine is sourced from PubChem (CID 119129277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).