2-methoxy-4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine

C17H28N4O — CID 171662539

IUPAC2-methoxy-4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine
SMILESCOC1CC(N2CCN(C)CC2)CCN1Nc1ccccc1
InChIInChI=1S/C17H28N4O/c1-19-10-12-20(13-11-19)16-8-9-21(17(14-16)22-2)18-15-6-4-3-5-7-15/h3-7,16-18H,8-14H2,1-2H3
InChIKeyNOXOTTFNJQDYAR-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.70
Rot. Bonds4

About 2-methoxy-4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine

2-methoxy-4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine (PubChem CID 171662539) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-methoxy-4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine.

Molecular Properties

Compound Name2-methoxy-4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine
PubChem CID171662539
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-methoxy-4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine
SMILESCOC1CC(N2CCN(C)CC2)CCN1Nc1ccccc1
InChIInChI=1S/C17H28N4O/c1-19-10-12-20(13-11-19)16-8-9-21(17(14-16)22-2)18-15-6-4-3-5-7-15/h3-7,16-18H,8-14H2,1-2H3
InChIKeyNOXOTTFNJQDYAR-UHFFFAOYSA-N
XLogP1.70
TPSA30.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine
CID 91408724
4-methyl-N-phenylpiperazin-1-amine
CID 22361228
2-(methoxymethyl)-N-phenylpyrrolidin-1-amine
CID 91183641
5-[3-(4-methylpiperazin-1-yl)cyclobutyl]-N-phenyl-1,2,4-oxadiazol-3-amine
CID 167954540
1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine
CID 123493648
2-methoxy-5-methyl-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-phenylpyridin-3-amine
CID 155233764
N-phenyl-4-piperidin-1-ylpiperidin-1-amine
CID 70140619
N-benzyl-N-methyl-1-[(3S)-3-(4-methylpiperazin-1-yl)cyclopentyl]methanamine
CID 118042391
ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273
4-N-(4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-2-N-phenylpyrimidine-2,4-diamine
CID 46847417
2-chloro-N-phenylpyrrolidin-1-amine
CID 123425797
N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyridin-2-amine
CID 175810607

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine?
The IUPAC name of 2-methoxy-4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine (CID 171662539) is 2-methoxy-4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine.
What is the SMILES notation for 2-methoxy-4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine?
The canonical SMILES for 2-methoxy-4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine is COC1CC(N2CCN(C)CC2)CCN1Nc1ccccc1.
What is the InChIKey of 2-methoxy-4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine?
The InChIKey is NOXOTTFNJQDYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-19-10-12-20(13-11-19)16-8-9-21(17(14-16)22-2)18-15-6-4-3-5-7-15/h3-7,16-18H,8-14H2,1-2H3.
What are the key properties of 2-methoxy-4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine?
2-methoxy-4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine has a molecular weight of 304.44 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine is sourced from PubChem (CID 171662539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).