N-[(4-piperidin-4-yloxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine

C20H27N3O — CID 118759916

IUPACN-[(4-piperidin-4-yloxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
SMILESCCN(Cc1ccncc1)Cc1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C20H27N3O/c1-2-23(16-18-7-11-21-12-8-18)15-17-3-5-19(6-4-17)24-20-9-13-22-14-10-20/h3-8,11-12,20,22H,2,9-10,13-16H2,1H3
InChIKeyUZPABBUDBRLEBR-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.23
Rot. Bonds7

About N-[(4-piperidin-4-yloxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine

N-[(4-piperidin-4-yloxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 118759916) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[(4-piperidin-4-yloxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(4-piperidin-4-yloxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID118759916
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-[(4-piperidin-4-yloxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
SMILESCCN(Cc1ccncc1)Cc1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C20H27N3O/c1-2-23(16-18-7-11-21-12-8-18)15-17-3-5-19(6-4-17)24-20-9-13-22-14-10-20/h3-8,11-12,20,22H,2,9-10,13-16H2,1H3
InChIKeyUZPABBUDBRLEBR-UHFFFAOYSA-N
XLogP3.23
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Florbetapir F-18
CID 24822371
4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyridin-3-yl]ethenyl]-N-methylaniline
CID 57396865
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
[2-(4-Fluorophenoxy)pyridin-4-yl]methanamine
CID 16794320
(2-Phenoxypyridin-4-yl)methanamine hydrochloride
CID 122163387
2-Phenoxy-3-(piperidin-4-yl)pyridine
CID 44133490
2-(2-Methoxyphenoxy)-3-(piperidin-4-yl)pyridine
CID 44133674
2-(2-Fluorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44133851
2-(2-Chlorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44133853
2-(Pyridin-3-ylmethoxy)aniline
CID 8027171
N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]pyridin-2-amine
CID 9880373
(2S,3S)-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-2-phenylpiperidin-3-amine
CID 10499614

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-4-yloxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of N-[(4-piperidin-4-yloxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine (CID 118759916) is N-[(4-piperidin-4-yloxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for N-[(4-piperidin-4-yloxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for N-[(4-piperidin-4-yloxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine is CCN(Cc1ccncc1)Cc1ccc(OC2CCNCC2)cc1.
What is the InChIKey of N-[(4-piperidin-4-yloxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is UZPABBUDBRLEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-2-23(16-18-7-11-21-12-8-18)15-17-3-5-19(6-4-17)24-20-9-13-22-14-10-20/h3-8,11-12,20,22H,2,9-10,13-16H2,1H3.
What are the key properties of N-[(4-piperidin-4-yloxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine?
N-[(4-piperidin-4-yloxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 325.46 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-4-yloxyphenyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 118759916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).