N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-prop-2-enylpiperidin-4-amine

C23H29FN2O2 — CID 119124222

IUPACN-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-prop-2-enylpiperidin-4-amine
SMILESC=CCN1CCC(NCc2ccc(OCc3ccc(F)cc3)c(OC)c2)CC1
InChIInChI=1S/C23H29FN2O2/c1-3-12-26-13-10-21(11-14-26)25-16-19-6-9-22(23(15-19)27-2)28-17-18-4-7-20(24)8-5-18/h3-9,15,21,25H,1,10-14,16-17H2,2H3
InChIKeyWNASABKFOOHJOO-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.15
Rot. Bonds9

About N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-prop-2-enylpiperidin-4-amine

N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-prop-2-enylpiperidin-4-amine (PubChem CID 119124222) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-prop-2-enylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-prop-2-enylpiperidin-4-amine
PubChem CID119124222
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC NameN-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-prop-2-enylpiperidin-4-amine
SMILESC=CCN1CCC(NCc2ccc(OCc3ccc(F)cc3)c(OC)c2)CC1
InChIInChI=1S/C23H29FN2O2/c1-3-12-26-13-10-21(11-14-26)25-16-19-6-9-22(23(15-19)27-2)28-17-18-4-7-20(24)8-5-18/h3-9,15,21,25H,1,10-14,16-17H2,2H3
InChIKeyWNASABKFOOHJOO-UHFFFAOYSA-N
XLogP4.15
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-1-prop-2-enylpiperidin-4-amine
CID 119124188
1-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-amine;ethane
CID 142128624
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]cycloheptanamine
CID 4721038
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43275383
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43215907
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119127514
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclohexanamine
CID 4722533
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294375
1-benzyl-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine;dihydrochloride
CID 17159260
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopentanamine
CID 4719319
N-[[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclooctanamine
CID 66529406
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17155046

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-prop-2-enylpiperidin-4-amine?
The IUPAC name of N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-prop-2-enylpiperidin-4-amine (CID 119124222) is N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-prop-2-enylpiperidin-4-amine.
What is the SMILES notation for N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-prop-2-enylpiperidin-4-amine?
The canonical SMILES for N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-prop-2-enylpiperidin-4-amine is C=CCN1CCC(NCc2ccc(OCc3ccc(F)cc3)c(OC)c2)CC1.
What is the InChIKey of N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-prop-2-enylpiperidin-4-amine?
The InChIKey is WNASABKFOOHJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-3-12-26-13-10-21(11-14-26)25-16-19-6-9-22(23(15-19)27-2)28-17-18-4-7-20(24)8-5-18/h3-9,15,21,25H,1,10-14,16-17H2,2H3.
What are the key properties of N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-prop-2-enylpiperidin-4-amine?
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-prop-2-enylpiperidin-4-amine has a molecular weight of 384.50 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-prop-2-enylpiperidin-4-amine is sourced from PubChem (CID 119124222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).