1-(4-methoxy-3-propoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine

C22H36N2O3 — CID 119129234

IUPAC1-(4-methoxy-3-propoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
SMILESCCCOc1cc(CNCC2(N3CCCCC3)CCOCC2)ccc1OC
InChIInChI=1S/C22H36N2O3/c1-3-13-27-21-16-19(7-8-20(21)25-2)17-23-18-22(9-14-26-15-10-22)24-11-5-4-6-12-24/h7-8,16,23H,3-6,9-15,17-18H2,1-2H3
InChIKeyFPTJTLVEMAZMRN-UHFFFAOYSA-N
MW376.54 g/mol
LogP3.61
Rot. Bonds9

About 1-(4-methoxy-3-propoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine

1-(4-methoxy-3-propoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine (PubChem CID 119129234) has the molecular formula C22H36N2O3 and a molecular weight of 376.54 g/mol. Its IUPAC name is 1-(4-methoxy-3-propoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methoxy-3-propoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
PubChem CID119129234
Molecular FormulaC22H36N2O3
Molecular Weight376.54 g/mol
Exact Mass376.27
IUPAC Name1-(4-methoxy-3-propoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
SMILESCCCOc1cc(CNCC2(N3CCCCC3)CCOCC2)ccc1OC
InChIInChI=1S/C22H36N2O3/c1-3-13-27-21-16-19(7-8-20(21)25-2)17-23-18-22(9-14-26-15-10-22)24-11-5-4-6-12-24/h7-8,16,23H,3-6,9-15,17-18H2,1-2H3
InChIKeyFPTJTLVEMAZMRN-UHFFFAOYSA-N
XLogP3.61
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129341
1-(4-ethoxy-3,5-dimethoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129181
1-(4-methoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
CID 119129277
4-[[(3-butoxy-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 119114989
2-[2-methoxy-4-[[(1-piperidin-1-ylcyclohexyl)methylamino]methyl]phenoxy]acetamide
CID 45354772
N-[[4-methoxy-3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 60881136
1-(4-methoxy-3-propoxyphenyl)-N-methylmethanamine
CID 15079025
N-[(4-piperidin-1-yloxan-4-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 119129298
N-(furan-2-ylmethyl)-1-(4-methoxy-3-propoxyphenyl)methanamine
CID 39374430
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
4-[5-[[(1-hydroxycyclohexyl)methylamino]methyl]-2-methoxyphenoxy]butanenitrile
CID 56823435

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-propoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-methoxy-3-propoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine (CID 119129234) is 1-(4-methoxy-3-propoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-methoxy-3-propoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-methoxy-3-propoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine is CCCOc1cc(CNCC2(N3CCCCC3)CCOCC2)ccc1OC.
What is the InChIKey of 1-(4-methoxy-3-propoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine?
The InChIKey is FPTJTLVEMAZMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O3/c1-3-13-27-21-16-19(7-8-20(21)25-2)17-23-18-22(9-14-26-15-10-22)24-11-5-4-6-12-24/h7-8,16,23H,3-6,9-15,17-18H2,1-2H3.
What are the key properties of 1-(4-methoxy-3-propoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine?
1-(4-methoxy-3-propoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine has a molecular weight of 376.54 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-propoxyphenyl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine is sourced from PubChem (CID 119129234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).