N-ethyl-N-[2-ethyl-5-(piperidin-1-ylmethyl)phenyl]oxan-4-amine

C21H34N2O — CID 142472240

IUPACN-ethyl-N-[2-ethyl-5-(piperidin-1-ylmethyl)phenyl]oxan-4-amine
SMILESCCc1ccc(CN2CCCCC2)cc1N(CC)C1CCOCC1
InChIInChI=1S/C21H34N2O/c1-3-19-9-8-18(17-22-12-6-5-7-13-22)16-21(19)23(4-2)20-10-14-24-15-11-20/h8-9,16,20H,3-7,10-15,17H2,1-2H3
InChIKeyWNBUSRRFMLYZHJ-UHFFFAOYSA-N
MW330.52 g/mol
LogP4.24
Rot. Bonds6

About N-ethyl-N-[2-ethyl-5-(piperidin-1-ylmethyl)phenyl]oxan-4-amine

N-ethyl-N-[2-ethyl-5-(piperidin-1-ylmethyl)phenyl]oxan-4-amine (PubChem CID 142472240) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is N-ethyl-N-[2-ethyl-5-(piperidin-1-ylmethyl)phenyl]oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-ethyl-5-(piperidin-1-ylmethyl)phenyl]oxan-4-amine
PubChem CID142472240
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC NameN-ethyl-N-[2-ethyl-5-(piperidin-1-ylmethyl)phenyl]oxan-4-amine
SMILESCCc1ccc(CN2CCCCC2)cc1N(CC)C1CCOCC1
InChIInChI=1S/C21H34N2O/c1-3-19-9-8-18(17-22-12-6-5-7-13-22)16-21(19)23(4-2)20-10-14-24-15-11-20/h8-9,16,20H,3-7,10-15,17H2,1-2H3
InChIKeyWNBUSRRFMLYZHJ-UHFFFAOYSA-N
XLogP4.24
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-diethylphenyl)methyl]pyrrolidine
CID 170618261
methyl 5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxylate
CID 135332325
4-[(4-ethyl-3-methylphenyl)methyl]morpholine
CID 71052307
N-ethyl-N-[5-[4-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]phenyl]-2,3-dimethylphenyl]oxan-4-amine
CID 166958077
5-ethyl-6-[ethyl(oxan-4-yl)amino]-2-(morpholin-4-ylmethyl)-1-benzofuran-4-carboxylic acid
CID 135332288
2-methyl-N-(oxan-4-yl)-5-(pyrrolidin-1-ylmethyl)benzamide
CID 70845853
1-(1,3-benzodioxol-5-ylmethyl)azepane
CID 765340
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
N-[(Z)-2-(ethylcarbamoyl)-3-methylpent-2-en-4-ynyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 165394769
3-[[[3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methoxymethylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 156547496
N-[2-(butan-2-ylcarbamoyl)butyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 166778017
5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide
CID 155903346

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-ethyl-5-(piperidin-1-ylmethyl)phenyl]oxan-4-amine?
The IUPAC name of N-ethyl-N-[2-ethyl-5-(piperidin-1-ylmethyl)phenyl]oxan-4-amine (CID 142472240) is N-ethyl-N-[2-ethyl-5-(piperidin-1-ylmethyl)phenyl]oxan-4-amine.
What is the SMILES notation for N-ethyl-N-[2-ethyl-5-(piperidin-1-ylmethyl)phenyl]oxan-4-amine?
The canonical SMILES for N-ethyl-N-[2-ethyl-5-(piperidin-1-ylmethyl)phenyl]oxan-4-amine is CCc1ccc(CN2CCCCC2)cc1N(CC)C1CCOCC1.
What is the InChIKey of N-ethyl-N-[2-ethyl-5-(piperidin-1-ylmethyl)phenyl]oxan-4-amine?
The InChIKey is WNBUSRRFMLYZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O/c1-3-19-9-8-18(17-22-12-6-5-7-13-22)16-21(19)23(4-2)20-10-14-24-15-11-20/h8-9,16,20H,3-7,10-15,17H2,1-2H3.
What are the key properties of N-ethyl-N-[2-ethyl-5-(piperidin-1-ylmethyl)phenyl]oxan-4-amine?
N-ethyl-N-[2-ethyl-5-(piperidin-1-ylmethyl)phenyl]oxan-4-amine has a molecular weight of 330.52 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-ethyl-5-(piperidin-1-ylmethyl)phenyl]oxan-4-amine is sourced from PubChem (CID 142472240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).