4-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-2,4-diamine

C20H28N4 — CID 142855634

IUPAC4-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-2,4-diamine
SMILESNc1cc(NCCN2CCC(CCc3ccccc3)CC2)ccn1
InChIInChI=1S/C20H28N4/c21-20-16-19(8-11-23-20)22-12-15-24-13-9-18(10-14-24)7-6-17-4-2-1-3-5-17/h1-5,8,11,16,18H,6-7,9-10,12-15H2,(H3,21,22,23)
InChIKeyVTQMUKRLFZDHMV-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.42
Rot. Bonds7

About 4-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-2,4-diamine

4-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-2,4-diamine (PubChem CID 142855634) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-2,4-diamine
PubChem CID142855634
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name4-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-2,4-diamine
SMILESNc1cc(NCCN2CCC(CCc3ccccc3)CC2)ccn1
InChIInChI=1S/C20H28N4/c21-20-16-19(8-11-23-20)22-12-15-24-13-9-18(10-14-24)7-6-17-4-2-1-3-5-17/h1-5,8,11,16,18H,6-7,9-10,12-15H2,(H3,21,22,23)
InChIKeyVTQMUKRLFZDHMV-UHFFFAOYSA-N
XLogP3.42
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis(2-phenylethyl)piperidine
CID 86059939
2-(2-methoxyethylamino)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-4-carboxamide
CID 142855540
4-chloro-2-fluoro-N-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]aniline
CID 15923232
2-hydroxy-2-phenyl-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]acetamide
CID 142855670
4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
2-chloro-N-(3-phenylpropyl)-7-[[1-[2-(pyridin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 122573797
N-[2-(4-ethylpiperidin-1-yl)ethyl]-3-fluoroaniline
CID 62556361
N-[3-(4-benzylpiperidin-1-yl)propyl]-3,4-dichloroaniline;hydrochloride
CID 18538685
(Z)-1-(4-cyclopropyl-3-pyridinyl)-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]but-1-en-1-amine
CID 142855500
(E)-3-[hydroxy-[(Z)-2-[2-[4-(2-phenylethyl)piperidin-1-yl]ethylamino]ethenyl]amino]prop-2-enal
CID 142855550
3-[(Z)-but-1-enyl]-4-methylpyridine;N-methyl-2-[4-(2-phenylethyl)piperidin-1-yl]ethanamine
CID 142855458
tert-butyl 4-[2-(2-amino-4-pyridinyl)ethyl]piperidine-1-carboxylate
CID 66509368

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-2,4-diamine?
The IUPAC name of 4-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-2,4-diamine (CID 142855634) is 4-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-2,4-diamine?
The canonical SMILES for 4-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-2,4-diamine is Nc1cc(NCCN2CCC(CCc3ccccc3)CC2)ccn1.
What is the InChIKey of 4-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-2,4-diamine?
The InChIKey is VTQMUKRLFZDHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c21-20-16-19(8-11-23-20)22-12-15-24-13-9-18(10-14-24)7-6-17-4-2-1-3-5-17/h1-5,8,11,16,18H,6-7,9-10,12-15H2,(H3,21,22,23).
What are the key properties of 4-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-2,4-diamine?
4-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-2,4-diamine has a molecular weight of 324.47 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]pyridine-2,4-diamine is sourced from PubChem (CID 142855634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).