N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-1-prop-2-enylpiperidin-4-amine

C22H29N3O2 — CID 119124188

IUPACN-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-1-prop-2-enylpiperidin-4-amine
SMILESC=CCN1CCC(NCc2ccc(OC)c(OCc3cccnc3)c2)CC1
InChIInChI=1S/C22H29N3O2/c1-3-11-25-12-8-20(9-13-25)24-16-18-6-7-21(26-2)22(14-18)27-17-19-5-4-10-23-15-19/h3-7,10,14-15,20,24H,1,8-9,11-13,16-17H2,2H3
InChIKeyPHNBIFCGAPIBOU-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.41
Rot. Bonds9

About N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-1-prop-2-enylpiperidin-4-amine

N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-1-prop-2-enylpiperidin-4-amine (PubChem CID 119124188) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-1-prop-2-enylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-1-prop-2-enylpiperidin-4-amine
PubChem CID119124188
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-1-prop-2-enylpiperidin-4-amine
SMILESC=CCN1CCC(NCc2ccc(OC)c(OCc3cccnc3)c2)CC1
InChIInChI=1S/C22H29N3O2/c1-3-11-25-12-8-20(9-13-25)24-16-18-6-7-21(26-2)22(14-18)27-17-19-5-4-10-23-15-19/h3-7,10,14-15,20,24H,1,8-9,11-13,16-17H2,2H3
InChIKeyPHNBIFCGAPIBOU-UHFFFAOYSA-N
XLogP3.41
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-prop-2-enylpiperidin-4-amine
CID 119124222
N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 119114782
1-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-amine;ethane
CID 142128624
1-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 43278584
N-cyclohexyl-2-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methylamino]acetamide
CID 119129107
N-[[3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 6471617
[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 43122520
N-[[3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclohexanamine
CID 17055912
1-benzyl-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159260
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43275383
N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 119127589
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]cycloheptanamine
CID 4721038

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-1-prop-2-enylpiperidin-4-amine?
The IUPAC name of N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-1-prop-2-enylpiperidin-4-amine (CID 119124188) is N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-1-prop-2-enylpiperidin-4-amine.
What is the SMILES notation for N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-1-prop-2-enylpiperidin-4-amine?
The canonical SMILES for N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-1-prop-2-enylpiperidin-4-amine is C=CCN1CCC(NCc2ccc(OC)c(OCc3cccnc3)c2)CC1.
What is the InChIKey of N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-1-prop-2-enylpiperidin-4-amine?
The InChIKey is PHNBIFCGAPIBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-11-25-12-8-20(9-13-25)24-16-18-6-7-21(26-2)22(14-18)27-17-19-5-4-10-23-15-19/h3-7,10,14-15,20,24H,1,8-9,11-13,16-17H2,2H3.
What are the key properties of N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-1-prop-2-enylpiperidin-4-amine?
N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-1-prop-2-enylpiperidin-4-amine has a molecular weight of 367.49 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-1-prop-2-enylpiperidin-4-amine is sourced from PubChem (CID 119124188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).