N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-amine

C17H28N2O2 — CID 43215948

IUPACN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-amine
SMILESCOc1cc(CNC2CCN(C)CC2)ccc1OC(C)C
InChIInChI=1S/C17H28N2O2/c1-13(2)21-16-6-5-14(11-17(16)20-4)12-18-15-7-9-19(3)10-8-15/h5-6,11,13,15,18H,7-10,12H2,1-4H3
InChIKeyKOAIXFFUVLWVDL-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.67
Rot. Bonds6

About N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-amine

N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-amine (PubChem CID 43215948) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-amine
PubChem CID43215948
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-amine
SMILESCOc1cc(CNC2CCN(C)CC2)ccc1OC(C)C
InChIInChI=1S/C17H28N2O2/c1-13(2)21-16-6-5-14(11-17(16)20-4)12-18-15-7-9-19(3)10-8-15/h5-6,11,13,15,18H,7-10,12H2,1-4H3
InChIKeyKOAIXFFUVLWVDL-UHFFFAOYSA-N
XLogP2.67
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 119127138
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43215907
3-ethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]cyclobutan-1-amine
CID 103920966
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methyloxan-4-amine
CID 103887921
N-[(3-methoxy-4-pentan-2-yloxyphenyl)methyl]cyclopropanamine
CID 107890758
1-cyclopropyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43400202
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpiperidin-4-amine
CID 43373330
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
2-methoxy-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 54950208
N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclobutanamine
CID 96673699
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43223600
N-[(4-morpholin-4-yl-3-propan-2-yloxyphenyl)methyl]cyclopropanamine
CID 84750548

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-amine (CID 43215948) is N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-amine is COc1cc(CNC2CCN(C)CC2)ccc1OC(C)C.
What is the InChIKey of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-amine?
The InChIKey is KOAIXFFUVLWVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(2)21-16-6-5-14(11-17(16)20-4)12-18-15-7-9-19(3)10-8-15/h5-6,11,13,15,18H,7-10,12H2,1-4H3.
What are the key properties of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-amine?
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-amine has a molecular weight of 292.42 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 43215948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).