2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone

C19H28N2O2 — CID 175649098

IUPAC2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESCc1ccc(CN2CCC(CC(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C19H28N2O2/c1-16-2-4-18(5-3-16)15-20-8-6-17(7-9-20)14-19(22)21-10-12-23-13-11-21/h2-5,17H,6-15H2,1H3
InChIKeyOVQOEHSKGSZCMR-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.46
Rot. Bonds4

About 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone

2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone (PubChem CID 175649098) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
PubChem CID175649098
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESCc1ccc(CN2CCC(CC(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C19H28N2O2/c1-16-2-4-18(5-3-16)15-20-8-6-17(7-9-20)14-19(22)21-10-12-23-13-11-21/h2-5,17H,6-15H2,1H3
InChIKeyOVQOEHSKGSZCMR-UHFFFAOYSA-N
XLogP2.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 146122570
2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172900654
2-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172901337
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172900655
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetohydrazide;hydrochloride
CID 17221700
propan-2-yl 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetate
CID 83983182
4-ethyl-1-[(4-methylphenyl)methyl]piperidine
CID 144879966
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-cyclopentylethanone
CID 112764711
2-chloro-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 19297280
2-[(3R)-4-[2-(1-benzylpiperidin-4-yl)acetyl]morpholin-3-yl]acetic acid
CID 124751060
2,2,2-trifluoro-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 83983209
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 4535496

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone (CID 175649098) is 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone is Cc1ccc(CN2CCC(CC(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone?
The InChIKey is OVQOEHSKGSZCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-16-2-4-18(5-3-16)15-20-8-6-17(7-9-20)14-19(22)21-10-12-23-13-11-21/h2-5,17H,6-15H2,1H3.
What are the key properties of 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone?
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone has a molecular weight of 316.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 175649098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).