[4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone

C18H26N2O2 — CID 120921219

IUPAC[4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone
SMILESNCC1(C(=O)N2CCC(c3ccccc3)CC2)CCOCC1
InChIInChI=1S/C18H26N2O2/c19-14-18(8-12-22-13-9-18)17(21)20-10-6-16(7-11-20)15-4-2-1-3-5-15/h1-5,16H,6-14,19H2
InChIKeyLMNUCAFWFBRKSL-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.15
Rot. Bonds3

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

[4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone (PubChem CID 120921219) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone
PubChem CID120921219
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name[4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone
SMILESNCC1(C(=O)N2CCC(c3ccccc3)CC2)CCOCC1
InChIInChI=1S/C18H26N2O2/c19-14-18(8-12-22-13-9-18)17(21)20-10-6-16(7-11-20)15-4-2-1-3-5-15/h1-5,16H,6-14,19H2
InChIKeyLMNUCAFWFBRKSL-UHFFFAOYSA-N
XLogP2.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)oxan-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 120931313
[4-(aminomethyl)oxan-4-yl]-(3-ethyl-4-phenylpiperidin-1-yl)methanone;hydrochloride
CID 120936915
[4-(aminomethyl)oxan-4-yl]-[3-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120930200
[4-(aminomethyl)oxan-4-yl]-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone;hydrochloride
CID 120929640
morpholin-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 67308530
(1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride
CID 119278406
[4-(aminomethyl)oxan-4-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 120937744
4-(aminomethyl)-N-(3-phenylcyclobutyl)oxane-4-carboxamide;hydrochloride
CID 120931146
[4-(aminomethyl)oxan-4-yl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 120928895
[4-(aminomethyl)oxan-4-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
CID 120930210
3-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 120924733
[4-(aminomethyl)oxan-4-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112624832

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone (CID 120921219) is [4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone is NCC1(C(=O)N2CCC(c3ccccc3)CC2)CCOCC1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is LMNUCAFWFBRKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c19-14-18(8-12-22-13-9-18)17(21)20-10-6-16(7-11-20)15-4-2-1-3-5-15/h1-5,16H,6-14,19H2.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone?
[4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 302.42 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 120921219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).