N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine

C16H26N2O2 — CID 43215907

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine
SMILESCCOc1ccc(CNC2CCN(C)CC2)cc1OC
InChIInChI=1S/C16H26N2O2/c1-4-20-15-6-5-13(11-16(15)19-3)12-17-14-7-9-18(2)10-8-14/h5-6,11,14,17H,4,7-10,12H2,1-3H3
InChIKeyAKVSZZFGKZXDFT-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.28
Rot. Bonds6

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine

N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine (PubChem CID 43215907) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine
PubChem CID43215907
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine
SMILESCCOc1ccc(CNC2CCN(C)CC2)cc1OC
InChIInChI=1S/C16H26N2O2/c1-4-20-15-6-5-13(11-16(15)19-3)12-17-14-7-9-18(2)10-8-14/h5-6,11,14,17H,4,7-10,12H2,1-3H3
InChIKeyAKVSZZFGKZXDFT-UHFFFAOYSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43215948
4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62314200
4-[(4-ethoxy-3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509717
N,1-bis[(3,4-diethoxyphenyl)methyl]pyrrolidin-3-amine
CID 18914019
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 64741035
N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 61344979
1-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-amine;ethane
CID 142128624
1-butyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 119127138
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]cycloheptanamine
CID 4721038
N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646908
N-[[4-[(E)-but-2-enoxy]-3-ethoxyphenyl]methyl]cyclopropanamine
CID 60881654
2-methoxy-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 54950208

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine (CID 43215907) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine is CCOc1ccc(CNC2CCN(C)CC2)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine?
The InChIKey is AKVSZZFGKZXDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-20-15-6-5-13(11-16(15)19-3)12-17-14-7-9-18(2)10-8-14/h5-6,11,14,17H,4,7-10,12H2,1-3H3.
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine has a molecular weight of 278.40 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 43215907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).