[4-(aminomethyl)oxan-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;hydrochloride

C19H29ClN2O2 — CID 120931313

IUPAC[4-(aminomethyl)oxan-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;hydrochloride
SMILESCc1ccccc1C1CCN(C(=O)C2(CN)CCOCC2)CC1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-15-4-2-3-5-17(15)16-6-10-21(11-7-16)18(22)19(14-20)8-12-23-13-9-19;/h2-5,16H,6-14,20H2,1H3;1H
InChIKeyDNRLHIKZFMFOFE-UHFFFAOYSA-N
MW352.91 g/mol
LogP2.88
Rot. Bonds3

About [4-(aminomethyl)oxan-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;hydrochloride

[4-(aminomethyl)oxan-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 120931313) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID120931313
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name[4-(aminomethyl)oxan-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;hydrochloride
SMILESCc1ccccc1C1CCN(C(=O)C2(CN)CCOCC2)CC1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-15-4-2-3-5-17(15)16-6-10-21(11-7-16)18(22)19(14-20)8-12-23-13-9-19;/h2-5,16H,6-14,20H2,1H3;1H
InChIKeyDNRLHIKZFMFOFE-UHFFFAOYSA-N
XLogP2.88
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)oxan-4-yl]-[3-(2-methylphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120930200
[4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 120921219
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
CID 120929572
[4-(aminomethyl)oxan-4-yl]-(3-ethyl-4-phenylpiperidin-1-yl)methanone;hydrochloride
CID 120936915
[4-(aminomethyl)oxan-4-yl]-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone;hydrochloride
CID 120929640
[4-(aminomethyl)oxan-4-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
CID 120930210
[4-(aminomethyl)oxan-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120938039
1-[4-(aminomethyl)oxane-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 120939525
[4-(aminomethyl)oxan-4-yl]-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)methanone;hydrochloride
CID 120930453
[4-(aminomethyl)oxan-4-yl]-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 120939311
3-amino-1-[4-(2-methylphenyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119775893
[4-(aminomethyl)oxan-4-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 120937744

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;hydrochloride (CID 120931313) is [4-(aminomethyl)oxan-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;hydrochloride is Cc1ccccc1C1CCN(C(=O)C2(CN)CCOCC2)CC1.Cl.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is DNRLHIKZFMFOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.ClH/c1-15-4-2-3-5-17(15)16-6-10-21(11-7-16)18(22)19(14-20)8-12-23-13-9-19;/h2-5,16H,6-14,20H2,1H3;1H.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;hydrochloride?
[4-(aminomethyl)oxan-4-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 2.88, 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-(2-methylphenyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120931313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).