[4-(aminomethyl)oxan-4-yl]-[4-(diethylaminomethyl)piperidin-1-yl]methanone

C17H33N3O2 — CID 120939311

IUPAC[4-(aminomethyl)oxan-4-yl]-[4-(diethylaminomethyl)piperidin-1-yl]methanone
SMILESCCN(CC)CC1CCN(C(=O)C2(CN)CCOCC2)CC1
InChIInChI=1S/C17H33N3O2/c1-3-19(4-2)13-15-5-9-20(10-6-15)16(21)17(14-18)7-11-22-12-8-17/h15H,3-14,18H2,1-2H3
InChIKeySEGTYJJTXNLZNQ-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.32
Rot. Bonds6

About [4-(aminomethyl)oxan-4-yl]-[4-(diethylaminomethyl)piperidin-1-yl]methanone

[4-(aminomethyl)oxan-4-yl]-[4-(diethylaminomethyl)piperidin-1-yl]methanone (PubChem CID 120939311) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-[4-(diethylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-[4-(diethylaminomethyl)piperidin-1-yl]methanone
PubChem CID120939311
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name[4-(aminomethyl)oxan-4-yl]-[4-(diethylaminomethyl)piperidin-1-yl]methanone
SMILESCCN(CC)CC1CCN(C(=O)C2(CN)CCOCC2)CC1
InChIInChI=1S/C17H33N3O2/c1-3-19(4-2)13-15-5-9-20(10-6-15)16(21)17(14-18)7-11-22-12-8-17/h15H,3-14,18H2,1-2H3
InChIKeySEGTYJJTXNLZNQ-UHFFFAOYSA-N
XLogP1.32
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(aminomethyl)oxan-4-yl]-[4-(diethylaminomethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(diethylamino)ethanone
CID 120941025
(1-aminocyclobutyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 81172457
4-[4-(aminomethyl)oxane-4-carbonyl]-N,N-diethylpiperazine-1-carboxamide
CID 120923590
[4-(aminomethyl)oxan-4-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112624832
[1-(aminomethyl)cyclopropyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 115452907
[4-(aminomethyl)oxan-4-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
CID 120930210
4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyloxane-4-carboxamide
CID 63956780
[4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 120921219
4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyloxane-4-carboxamide;hydrochloride
CID 120932569
[4-(aminomethyl)oxan-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 62367937
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 115439212
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyloxane-4-carboxamide
CID 107397896

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-[4-(diethylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-[4-(diethylaminomethyl)piperidin-1-yl]methanone (CID 120939311) is [4-(aminomethyl)oxan-4-yl]-[4-(diethylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-[4-(diethylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-[4-(diethylaminomethyl)piperidin-1-yl]methanone is CCN(CC)CC1CCN(C(=O)C2(CN)CCOCC2)CC1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-[4-(diethylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is SEGTYJJTXNLZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-3-19(4-2)13-15-5-9-20(10-6-15)16(21)17(14-18)7-11-22-12-8-17/h15H,3-14,18H2,1-2H3.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-[4-(diethylaminomethyl)piperidin-1-yl]methanone?
[4-(aminomethyl)oxan-4-yl]-[4-(diethylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 311.47 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-[4-(diethylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 120939311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).