N-[[3-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine

C18H30N2O — CID 62426943

IUPACN-[[3-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
SMILESCCOC1CCN(Cc2cccc(CNC(C)C)c2)CC1
InChIInChI=1S/C18H30N2O/c1-4-21-18-8-10-20(11-9-18)14-17-7-5-6-16(12-17)13-19-15(2)3/h5-7,12,15,18-19H,4,8-11,13-14H2,1-3H3
InChIKeyWNCCTJAEDCZQDM-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.19
Rot. Bonds7

About N-[[3-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine

N-[[3-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine (PubChem CID 62426943) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[3-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
PubChem CID62426943
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[3-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
SMILESCCOC1CCN(Cc2cccc(CNC(C)C)c2)CC1
InChIInChI=1S/C18H30N2O/c1-4-21-18-8-10-20(11-9-18)14-17-7-5-6-16(12-17)13-19-15(2)3/h5-7,12,15,18-19H,4,8-11,13-14H2,1-3H3
InChIKeyWNCCTJAEDCZQDM-UHFFFAOYSA-N
XLogP3.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]methyl]propan-2-amine
CID 63980069
N-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419918
N-[[3-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62930308
N-[[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 63159888
N-[[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 81147565
1-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 62420766
3-[3-[(4-ethoxypiperidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 76909479
N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62430874
N-[[6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62282119
N-[[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 83221641
4-ethoxy-1-[(4-iodophenyl)methyl]piperidine
CID 65478371
2-chloro-4-[(4-ethoxypiperidin-1-yl)methyl]pyridine
CID 55069209

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine (CID 62426943) is N-[[3-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine is CCOC1CCN(Cc2cccc(CNC(C)C)c2)CC1.
What is the InChIKey of N-[[3-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The InChIKey is WNCCTJAEDCZQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-21-18-8-10-20(11-9-18)14-17-7-5-6-16(12-17)13-19-15(2)3/h5-7,12,15,18-19H,4,8-11,13-14H2,1-3H3.
What are the key properties of N-[[3-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine?
N-[[3-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62426943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).