1-[(1-methylpiperidin-2-yl)methyl]-4-(2-phenoxyethyl)piperazine

C19H31N3O — CID 56785924

IUPAC1-[(1-methylpiperidin-2-yl)methyl]-4-(2-phenoxyethyl)piperazine
SMILESCN1CCCCC1CN1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C19H31N3O/c1-20-10-6-5-7-18(20)17-22-13-11-21(12-14-22)15-16-23-19-8-3-2-4-9-19/h2-4,8-9,18H,5-7,10-17H2,1H3
InChIKeyRMJWVNLVFMKPJG-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.17
Rot. Bonds6

About 1-[(1-methylpiperidin-2-yl)methyl]-4-(2-phenoxyethyl)piperazine

1-[(1-methylpiperidin-2-yl)methyl]-4-(2-phenoxyethyl)piperazine (PubChem CID 56785924) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-2-yl)methyl]-4-(2-phenoxyethyl)piperazine.

Molecular Properties

Compound Name1-[(1-methylpiperidin-2-yl)methyl]-4-(2-phenoxyethyl)piperazine
PubChem CID56785924
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name1-[(1-methylpiperidin-2-yl)methyl]-4-(2-phenoxyethyl)piperazine
SMILESCN1CCCCC1CN1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C19H31N3O/c1-20-10-6-5-7-18(20)17-22-13-11-21(12-14-22)15-16-23-19-8-3-2-4-9-19/h2-4,8-9,18H,5-7,10-17H2,1H3
InChIKeyRMJWVNLVFMKPJG-UHFFFAOYSA-N
XLogP2.17
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 56783112
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
1-methyl-2-[(4-phenylmethoxypiperidin-1-yl)methyl]piperidine
CID 91843602
2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 111113369
1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine
CID 80674242
1-(2-chloroethyl)-4-(2-phenoxyethyl)-1,4-diazepane
CID 63387533
2-(benzhydryloxymethyl)-1-methylpiperidine
CID 23337120
N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593626
1-[(4-methoxyphenyl)methyl]-4-[(1-methylpiperidin-2-yl)methyl]piperazine
CID 75439284
cyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone
CID 165435335
1-methyl-2-[(4-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride
CID 70065805

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-2-yl)methyl]-4-(2-phenoxyethyl)piperazine?
The IUPAC name of 1-[(1-methylpiperidin-2-yl)methyl]-4-(2-phenoxyethyl)piperazine (CID 56785924) is 1-[(1-methylpiperidin-2-yl)methyl]-4-(2-phenoxyethyl)piperazine.
What is the SMILES notation for 1-[(1-methylpiperidin-2-yl)methyl]-4-(2-phenoxyethyl)piperazine?
The canonical SMILES for 1-[(1-methylpiperidin-2-yl)methyl]-4-(2-phenoxyethyl)piperazine is CN1CCCCC1CN1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 1-[(1-methylpiperidin-2-yl)methyl]-4-(2-phenoxyethyl)piperazine?
The InChIKey is RMJWVNLVFMKPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-20-10-6-5-7-18(20)17-22-13-11-21(12-14-22)15-16-23-19-8-3-2-4-9-19/h2-4,8-9,18H,5-7,10-17H2,1H3.
What are the key properties of 1-[(1-methylpiperidin-2-yl)methyl]-4-(2-phenoxyethyl)piperazine?
1-[(1-methylpiperidin-2-yl)methyl]-4-(2-phenoxyethyl)piperazine has a molecular weight of 317.48 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-2-yl)methyl]-4-(2-phenoxyethyl)piperazine is sourced from PubChem (CID 56785924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).