N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-3-fluoropyridin-4-amine

C19H23ClFN3O — CID 67197449

IUPACN-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-3-fluoropyridin-4-amine
SMILESCCOc1cc(CN2CCC(Nc3ccncc3F)CC2)ccc1Cl
InChIInChI=1S/C19H23ClFN3O/c1-2-25-19-11-14(3-4-16(19)20)13-24-9-6-15(7-10-24)23-18-5-8-22-12-17(18)21/h3-5,8,11-12,15H,2,6-7,9-10,13H2,1H3,(H,22,23)
InChIKeyMXZNLSBGMPEQHD-UHFFFAOYSA-N
MW363.86 g/mol
LogP4.35
Rot. Bonds6

About N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-3-fluoropyridin-4-amine

N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-3-fluoropyridin-4-amine (PubChem CID 67197449) has the molecular formula C19H23ClFN3O and a molecular weight of 363.86 g/mol. Its IUPAC name is N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-3-fluoropyridin-4-amine.

Molecular Properties

Compound NameN-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-3-fluoropyridin-4-amine
PubChem CID67197449
Molecular FormulaC19H23ClFN3O
Molecular Weight363.86 g/mol
Exact Mass363.15
IUPAC NameN-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-3-fluoropyridin-4-amine
SMILESCCOc1cc(CN2CCC(Nc3ccncc3F)CC2)ccc1Cl
InChIInChI=1S/C19H23ClFN3O/c1-2-25-19-11-14(3-4-16(19)20)13-24-9-6-15(7-10-24)23-18-5-8-22-12-17(18)21/h3-5,8,11-12,15H,2,6-7,9-10,13H2,1H3,(H,22,23)
InChIKeyMXZNLSBGMPEQHD-UHFFFAOYSA-N
XLogP4.35
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.86
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-3-fluoropyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-3-fluoropyridin-4-amine?
The IUPAC name of N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-3-fluoropyridin-4-amine (CID 67197449) is N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-3-fluoropyridin-4-amine.
What is the SMILES notation for N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-3-fluoropyridin-4-amine?
The canonical SMILES for N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-3-fluoropyridin-4-amine is CCOc1cc(CN2CCC(Nc3ccncc3F)CC2)ccc1Cl.
What is the InChIKey of N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-3-fluoropyridin-4-amine?
The InChIKey is MXZNLSBGMPEQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClFN3O/c1-2-25-19-11-14(3-4-16(19)20)13-24-9-6-15(7-10-24)23-18-5-8-22-12-17(18)21/h3-5,8,11-12,15H,2,6-7,9-10,13H2,1H3,(H,22,23).
What are the key properties of N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-3-fluoropyridin-4-amine?
N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-3-fluoropyridin-4-amine has a molecular weight of 363.86 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-3-fluoropyridin-4-amine is sourced from PubChem (CID 67197449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).