1-methyl-4-[2-[2-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]phenoxy]ethyl]piperazine

C22H37N3O — CID 99930492

IUPAC1-methyl-4-[2-[2-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]phenoxy]ethyl]piperazine
SMILESCC(C)[C@H]1CCCN(Cc2ccccc2OCCN2CCN(C)CC2)C1
InChIInChI=1S/C22H37N3O/c1-19(2)20-8-6-10-25(17-20)18-21-7-4-5-9-22(21)26-16-15-24-13-11-23(3)12-14-24/h4-5,7,9,19-20H,6,8,10-18H2,1-3H3/t20-/m0/s1
InChIKeyFTRNOKOQWYMUKV-FQEVSTJZSA-N
MW359.56 g/mol
LogP3.18
Rot. Bonds7

About 1-methyl-4-[2-[2-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]phenoxy]ethyl]piperazine

1-methyl-4-[2-[2-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]phenoxy]ethyl]piperazine (PubChem CID 99930492) has the molecular formula C22H37N3O and a molecular weight of 359.56 g/mol. Its IUPAC name is 1-methyl-4-[2-[2-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]phenoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[2-[2-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]phenoxy]ethyl]piperazine
PubChem CID99930492
Molecular FormulaC22H37N3O
Molecular Weight359.56 g/mol
Exact Mass359.29
IUPAC Name1-methyl-4-[2-[2-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]phenoxy]ethyl]piperazine
SMILESCC(C)[C@H]1CCCN(Cc2ccccc2OCCN2CCN(C)CC2)C1
InChIInChI=1S/C22H37N3O/c1-19(2)20-8-6-10-25(17-20)18-21-7-4-5-9-22(21)26-16-15-24-13-11-23(3)12-14-24/h4-5,7,9,19-20H,6,8,10-18H2,1-3H3/t20-/m0/s1
InChIKeyFTRNOKOQWYMUKV-FQEVSTJZSA-N
XLogP3.18
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-4-methyl-1,4-diazepane
CID 91792612
1-[2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]ethyl]-4-methylpiperazine
CID 77088646
[(2R)-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-2-yl]methanamine
CID 99953156
(1S,5S)-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 74241524
(3R,4R)-4-cyclopropyl-3-methyl-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-4-ol
CID 72877253
(3S)-1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-amine
CID 99941836
(3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-3-amine
CID 99930601
1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine
CID 170863761
4,4-difluoro-1-[[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]methyl]piperidine
CID 99931082
(3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidin-3-amine
CID 99941786
N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 62438685
(1S)-1-[(3S)-1-[2-(2-bromophenoxy)ethyl]piperidin-3-yl]ethanol
CID 97160833

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[2-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]phenoxy]ethyl]piperazine?
The IUPAC name of 1-methyl-4-[2-[2-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]phenoxy]ethyl]piperazine (CID 99930492) is 1-methyl-4-[2-[2-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]phenoxy]ethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[2-[2-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]phenoxy]ethyl]piperazine?
The canonical SMILES for 1-methyl-4-[2-[2-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]phenoxy]ethyl]piperazine is CC(C)[C@H]1CCCN(Cc2ccccc2OCCN2CCN(C)CC2)C1.
What is the InChIKey of 1-methyl-4-[2-[2-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]phenoxy]ethyl]piperazine?
The InChIKey is FTRNOKOQWYMUKV-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H37N3O/c1-19(2)20-8-6-10-25(17-20)18-21-7-4-5-9-22(21)26-16-15-24-13-11-23(3)12-14-24/h4-5,7,9,19-20H,6,8,10-18H2,1-3H3/t20-/m0/s1.
What are the key properties of 1-methyl-4-[2-[2-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]phenoxy]ethyl]piperazine?
1-methyl-4-[2-[2-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]phenoxy]ethyl]piperazine has a molecular weight of 359.56 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[2-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]phenoxy]ethyl]piperazine is sourced from PubChem (CID 99930492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).